Technical Advances in Pharmacy: An Overview - Editors: Deepika Bairagee - E-Book

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Editors: Deepika Bairagee

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Technical Advances in Pharmacy: An Overview examines the convergence of digital transformation, automation, and data intelligence in revolutionizing drug discovery, formulation, and healthcare delivery Across twelve in-depth chapters the book presents a forward-looking exploration of how emerging technologies are reshaping the landscape of pharmaceutical sciences. The book also covers cutting-edge developments such as artificial intelligence in drug discovery, pharmacogenomics and personalized medicine, blockchain in pharmaceutical supply chains, 3D printing of dosage forms, tele pharmacy, data analytics, and automation in pharmacy practice. By integrating computational modelling with experimental techniques, the text highlights the translational potential of modern technologies in enhancing drug development, patient adherence, and clinical outcomes. Serving as both a reference and a roadmap, this volume bridges traditional pharmaceutical foundations with next-generation innovations, offering readers an insightful perspective on the technological evolution shaping the future of pharmacy. Key Features Examines the role of artificial intelligence, pharmacogenomics, and data analytics in modern drug discovery. Explores blockchain, automation, and robotics as enablers of efficient and transparent pharmacy systems. Integrates computational modeling with experimental approaches for enhanced drug formulation and testing. Highlights 3D printing, telepharmacy, and RegTech as transformative tools in pharmaceutical innovation. Bridges classical pharmaceutical sciences with emerging digital and biotechnological advancements.

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Veröffentlichungsjahr: 2025

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Table of Contents
BENTHAM SCIENCE PUBLISHERS LTD.
End User License Agreement (for non-institutional, personal use)
Usage Rules:
Disclaimer:
Limitation of Liability:
General:
INTRODUCTION
PREFACE
List of Contributors
Artificial Intelligence (AI) and Drug Discovery
Abstract
INTRODUCTION
Overview of Drug Delivery Systems and Challenges in Discovery and Development
Role of AI in Transforming Traditional Drug Delivery Research
HISTORICAL PERSPECTIVE ON DRUG DELIVERY SYSTEMS: FROM CONVENTIONAL METHODS TO ADVANCED CONTROLLED RELEASE
AI TECHNIQUES IN DRUG DELIVERY
Machine Learning (ML): Regression Models, Classification, and Clustering for Drug Delivery Optimization
Deep Learning (DL): Neural Networks in Understanding Molecular Structures and Predicting Drug Behavior
Natural Language Processing (NLP): Extraction of Insights from Biomedical Literature for Drug Formulation
Reinforcement Learning (RL): Designing Optimal Drug Delivery Pathways
Computer Vision: Role in Analyzing Microscopic Images for Drug Distribution Studies
APPLICATIONS OF AI IN DRUG DELIVERY
Formulation Design and Optimization
Targeted Drug Delivery
Enhancing Dynamic Adaptability
In-silico Modeling
Controlled Release Systems
Personalized Medicine
Integration of AlphaFold in Drug Discovery and Delivery
EMERGING TECHNOLOGIES AND AI INTEGRATION
CASE STUDIES
CHALLENGES AND LIMITATIONS
FUTURE DIRECTIONS
CONCLUSION
REFERENCES
Pharmacogenomics: A New Paradigm in Personalized Medicine
Abstract
INTRODUCTION
IMPACT OF PHARMACOGENOMICS ON SYSTEM BIOLOGY
Effects of Genetic Variation on Drug Response (Pharmacokinetics)
Effects of Drugs on Genetic Constituents (Pharmacodynamic)
Impact of Pharmacogenomics on Biochemical Markers
Acetylation
Methylation
Glucuronidation
Miscellaneous Biomarkers
Idiosyncratic Reactions
Dose Selection by Clinicians for Treatment of Asthma According to β2-AR Response
Interaction Between -Anticoagulants and Vitamin K
APPLICATIONS OF PHARMACOGENOMICS IN DRUG PRESCRIBING
Integration of Genetic Data in Drug Prescription
Societal Impact of Collection of Pharmacogenomic Testing Data in Healthcare
Predicting Prescribing
Polypharmacy in Personalized Medicine
Role of AI and ML in Pharmacogenomics
Personalization of Medicine in Therapeutics
ETHICAL CONSIDERATION IN PERSONALIZED MEDICINE
Privacy and Security
Data Accessibility
Evidence Gap
Discrimination
Physician-Patient Relationship
Supporting Clinical Decision Making
Informed Consent
Healthcare Disparities
LIMITATIONS
SUMMARY & CONCLUSION
REFERENCES
Blockchain in Pharmaceutical Supply Chain
Abstract
INTRODUCTION
FEATURES OF BLOCKCHAIN
Subtypes of Blockchain
a) Public Blockchains
b) Private Blockchains
c) Hybrid Blockchains
d) Consortium Blockchains
Choosing the Right Blockchain
ADVANTAGES OF BLOCKCHAIN
Decentralised Architecture
Tamper-free Environment
Pseudonymity and Immutability
Consensus-driven Approach
Implementation
Working
Ethereum Workflow
Revolutionizing Clinical Trials using Blockchain
Blockchain: Revolutionizing Medical Research
The Prospects for Clinical Trial Development
Challenges and Considerations
Monitoring the medication supply chain
Combatting Counterfeit Drugs
Drug supply chain participants and their connections
Discussion
Conclusion
REFERENCES
Critical Assessment of Optimization Parameters for Transfersomes-based Transdermal Drug Delivery System
Abstract
INTRODUCTION
TRANSFERSOMES
Limitations of Transfersomes
Compositions
Role of Ingredients
Preparation
Factors Affecting Properties of Transfersomes
Edge Activator Ratio: Phospholipid Effect
Effect of Various Solvents
Effect of Various Edge Activators (Surfactants)
Effect of the Hydration Medium
Review of Optimization Parameters for Transfersomes Formulation
Conclusion
References
Telepharmacy and Remote Patient Monitoring
Abstract
Introduction
TELEPHARMACY: BRIDGING GAPS IN ACCESS TO PHARMACEUTICAL SERVICES
REMOTE PATIENT MONITORING: ENHANCING HEALTHCARE DELIVERY BEYOND TRADITIONAL SETTINGS
TELEPHARMACY AND REMOTE PATIENT MONITORING IN CHRONIC DISEASE MANAGEMENT
Diabetes
Hypertension
Cancer
Chronic Obstructive Pulmonary Disease
TELEPHARMACY AND REMOTE PATIENT MONITORING IN RURAL HEALTHCARE
PRACTICAL APPLICATION OF 3D PRINTING FOR PHARMACEUTICALS IN HOSPITALS AND PHARMACIES
ETHICAL AND LEGAL CONSIDERATIONS IN TELEPHARMACY AND REMOTE PATIENT MONITORING
CASE STUDIES AND SUCCESS STORIES
Case Example
CONCLUSION AND FUTURE OUTLOOK
REFERENCES
3D Printing in Pharmaceuticals
Abstract
INTRODUCTION
Principles and Technologies of 3D Printing
Overview of 3D Printing
Technologies in Pharmaceutical 3D Printing
Fused Deposition Modeling (FDM)
Stereolithography (SLA)
Selective Laser Sintering (SLS)
Inkjet Printing
Powder Bed Fusion (PBF)
Applications of 3D Printing in Pharmaceuticals
Personalized Medicine
Polypills
Complex Drug Delivery Systems
Sustained-Release Tablets
Microneedle Patches
Implants
Rapid Prototyping and Testing
On-Demand Manufacturing
Materials in Pharmaceutical 3D Printing
ACTIVE PHARMACEUTICAL INGREDIENTS (APIs) IN 3D PRINTING
Types of APIs Used in 3D Printing
Water-Soluble APIs
Poorly Soluble APIs
Thermal-Sensitive APIs
Slow-Release and Biodegradable APIs
Challenges of Using APIs in Pharmaceutical 3D Printing
Excipients and Additives in 3D Printing
Applications of APIs in Pharmaceutical 3D Printing
Challenges and Limitations
Technical Challenges
Material Selection
Resolution and Precision
Regulatory Hurdles
Approval Processes
Ethical and Economic Considerations
Future Perspectives
Integration with Emerging Technologies
Artificial Intelligence (AI)
Bioprint
Automation
Industrial Adoption
Revolutionize Supply Chains
Reduce Waste through Precise Dosing and On-Demand Manufacturing
Enhance Sustainability
CONCLUSION
References
Pharmaceutical Data Analytics
Abstract
Introduction to Pharmaceutical Data Analytics
Overview of the Pharmaceutical Industry
IMPORTANCE OF DATA ANALYTICS IN PHARMA
Role of Data Analytics in Process Validation
Role of Data Analytics in Operations
Role of Data Analytics in Sales and Marketing
The Role of Data Analytics in Hospital Pharmacy
Role of Data Analytics in Community Pharmacy
Role of data analytics in supply management of pharmacy
Role of Data Analytics in Drug Development
Role of Data Analytics in Pharmacogenomics
CHALLENGES AND OPPORTUNITIES
Fundamentals of Data Science in Pharma
Basics of Data Science
Data Collection and Management in Pharma
Statistical Analysis Techniques
Data sources in the pharmaceutical Industry
Clinical Trials Data [27]
Electronic Health Records [28]
Sales and Marketing Data
Regulatory Data [29]
Data Preprocessing and Cleaning
Data Cleaning Technique
Missing Data Handling
Outlier Detection
Exploratory Data Analysis (EDA)
Data Visualization Techniques
Descriptive Statistics
Correlation Analysis
Machine learning applications in Pharma
Drug Discovery and Development [36]
Machine learning Algorithms in Drug Discovery [37]
Pharmacovigilance and Drug Safety [38]
FUTURE TRENDS IN PHARMACEUTICAL DATA ANALYTICS
Artificial Intelligence and Deep Learning
Blockchain Pharma
Precision Medicine and Biomarker Discovery
Conclusion
References
Digital Health Platforms for Medication Management
Abstract
BACKGROUND
INTRODUCTION (MEDICATION ADHERENCE)
MEDICATION MANAGEMENT
Mobile Health Apps:
Importance of Medication Management Applications
Significant Obstacles with Medication Management Applications
ELECTRONIC PATIENT RECORDS (EHRS)
Electronic Health Records Applications [34]
Administrative Application
Computerized Physician Order Entry (CPOE)
Laboratory Systems
Radiology Systems
Clinical Documentation
Pharmacy Systems
Others
Healthcare Standards of EHR
Benefits of EHR
EHR Challenges:
CONCLUDING REMARKS
REFERENCES
Immunotherapy and Biopharmaceuticals
Abstract
INTRODUCTION
Global Emergence of Infectious Diseases and the Need for Antibiotics
Allicin: Nature’s Antibiotic Phytodrug
Bioprospecting Pathway of a Drug from Plant Origin
Background Study
Proposed Study and Methodology
Determination of Optimum Conditions for Allicin Production
Immunomodulatory Properties of Allium sativum
Antiallergic and Allergic Properties of Garlic
Immunostimulatory Activities of Garlic
Future Assessment of Electrolyte Solutions
Enhancement of Allicin Production through Ultrasound-Assisted Extraction (UAE)
Determination of Allicin Extraction Kinetics
Antioxidant Activity Estimation
DPPH Assay
Total Flavonoid Content Estimation
Total Phenolic Content Estimation
Total Protein Content Estimation
Enhancing Allicin Yield: A Review of Hybrid Extraction Techniques
Optimization of Conditions
Ultrasound-Assisted Extraction (UAE)
Surfactant-Mediated Extraction (SME)
Liquid-Liquid Extraction (LLE)
Energy Efficiency
Bioactivity Assessment
CONCLUSION
Future Scope
References
Pharmacy Automation and Robotics
Abstract
INTRODUCTION
PHARMACY BAR CODING
Automated Dispensing Cabinets (ADCs)
Automated Pharmacy Carousel Systems
Intravenous Automated Workflow Systems
Intravenous Compounding Robotics
TECHNOLOGICAL INNOVATION AND PRACTICAL APPLICATION
Scientific Rigor and Evidence-Based Analysis
Advancing Technology and Real-World Application
Ethical, Legal, and Safety Considerations
DISCUSSION
CONCLUSION AND FUTURE PROSPECTS
REFERENCES
Technologies in Pharmacy Education
Abstract
INTRODUCTION
Simulation Software
Mobile Apps
EdApp
Chameleon Creator
EduMe
Kitaboo Insight
Adaptive U
GLO makers
Forma LMS
Abara LMS
Coassemble
Tovuti
Lexicomp
Rx Shortages
Mint Personal Finance
Studious
WiFi Finder
Online Module
Virtual Reality (VR)
Augmented Reality (AR)
Gamification
Teleconferencing and Webinars
Electronic Health Records (EHR)
Social Media
Remote Monitoring and Telemedicine
Microlearning
Digital Pharmacist
Force Driving Changes in Pharmacy
E-Learning in Pharmacy Education
Biological Networking (GeneMANIA)
String
Pharmaceutical Quality by Design QbD
Mobile Learning
Virtuals Labs
AI in Pharmacy
Future Trends and Innovations
CONCLUSION
ACKNOWLEDGEMENTS
REFERENCES
Technical Advances in Pharmacy: An Overview
Edited by
Deepika Bairagee
Department of Pharmacy, Acropolis
Institute of Pharmaceutical Education and Research
Indore, Madhya Pradesh
India
Sunita Panchawat
Department of Pharmaceutical Sciences
Mohan Lal Sukhadia University
Udaipur, Rajasthan
India
Neeraj Sharma
School of Pharmacy, IPS Academy
Indore, Madhya Pradesh
India
&
Gaurav K. Saraogi
Department of Pharmacy
Sri Aurobindo, Institute of Pharmacy
Indore, Madhya Pradesh
India

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INTRODUCTION

The pharmaceutical field has always been a dynamic and evolving discipline, responding to the ever-changing challenges of healthcare. In recent years, technological advancements have dramatically reshaped the landscape, bringing innovations that were once considered science fiction into everyday practice. This transformation not only holds the promise of improved patient outcomes but also challenges us to rethink the way pharmacy is practiced, researched, and taught.

Technical Advances in Pharmacy: An Overview is a timely and invaluable resource that captures the essence of this revolution. From artificial intelligence and blockchain technology to nanotechnology and 3D printing, this book provides a detailed exploration of the tools and innovations driving change. It highlights the shift towards personalized medicine, where treatments are tailored to individual genetic profiles, and emphasizes the importance of secure, transparent supply chains facilitated by blockchain technology.

This book also addresses critical advancements in patient care through telepharmacy and remote patient monitoring, ensuring accessibility to underserved populations. The integration of pharmaceutical data analytics and digital health platforms into daily practice demonstrates the potential for technology to optimize medication management and improve healthcare delivery.

Equally significant are the insights into regulatory technology (RegTech), automation, and robotics, which ensure compliance and operational efficiency in a highly regulated industry. The exploration of immunotherapy and biopharmaceuticals underscores the transformative potential of biological innovations in treating complex diseases. Additionally, the discussion on pharmacy education technologies is particularly relevant as we prepare future pharmacists to navigate a technology-driven world.

This book is an essential read for anyone involved in pharmacy—students, educators, researchers, and practitioners alike. It not only informs but also inspires readers to embrace these advancements and explore their potential to transform the practice of pharmacy. As we stand at the intersection of tradition and innovation, works like this provide the knowledge and perspective necessary to shape the future of the profession.

I commend the authors for their efforts in compiling such a comprehensive and forward-looking resource. I hope that this book will ignite curiosity, foster innovation, and contribute meaningfully to the advancement of pharmacy and healthcare.

Deepika Bairagee Department of Pharmacy, Acropolis Institute of Pharmaceutical Education and Research Indore, Madhya Pradesh India

PREFACE

The field of pharmacy is witnessing a revolutionary transformation fueled by cutting-edge technologies and innovative methodologies. As the demands of healthcare evolve, so must the tools and techniques used in pharmaceutical sciences. This book, Technical Advances in Pharmacy: An Overview, provides a comprehensive exploration of emerging trends and technologies shaping the future of pharmacy practice, research, and education.

Each chapter delves into a specific domain where technology intersects with pharmacy, beginning with the pivotal role of Artificial Intelligence (AI) in drug discovery, accelerating the identification of new therapeutic candidates. Pharmacogenomics and personalized medicine offer insights into tailoring treatments based on genetic profiles, heralding a new era of individualized care. Blockchain technology, meanwhile, is revolutionizing the pharmaceutical supply chain by enhancing security, transparency, and traceability.

Advances, such as nanotechnology in drug delivery and 3D printing in pharmaceuticals, are redefining drug formulation and administration, enabling the development of precise, patient-specific solutions. The rise of telepharmacy and remote patient monitoring is breaking barriers to accessibility, making healthcare more inclusive. Pharmaceutical data analytics and digital health platforms are optimizing medication management, ensuring better outcomes for patients.

Regulatory technology (RegTech) is streamlining compliance in an increasingly complex regulatory landscape, while pharmacy automation and robotics are enhancing operational efficiency. Immunotherapy and biopharmaceuticals represent the cutting edge of therapeutic innovation, offering hope for previously untreatable conditions. Finally, pharmacy education technologies are equipping the next generation of professionals to excel in a rapidly evolving industry.

This book aims to serve as a foundational resource for students, researchers, and professionals who are eager to embrace these advancements and harness their potential. By exploring these topics in depth, we hope to inspire innovation and contribute to the continued growth of the pharmacy profession.

Deepika Bairagee Department of Pharmacy, Acropolis Institute of Pharmaceutical Education and Research Indore, Madhya Pradesh IndiaSunita Panchawat Department of Pharmaceutical Sciences Mohan Lal Sukhadia University Udaipur, Rajasthan IndiaNeeraj Sharma School of Pharmacy, IPS Academy Indore, Madhya Pradesh India &Gaurav K. Saraogi Department of Pharmacy

List of Contributors

Ankit JainSchool of Pharmacy, IPS Academy, Indore, Madhya Pradesh, IndiaAnkit KumarSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, IndiaAnkita DubeyDepartment of Pharmacy, Acropolis Institute of Pharmaceutical Education & Research, Indore, Madhya Pradesh, IndiaBhavya SharmaSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, IndiaDeenanath JhadeSt. Wilfred’s Institute of Pharmacy, University of Mumbai, Mumbai, Maharashtra, IndiaDebadash PanigrahiCollege of Pharmaceutical Sciences, Puri, Odisha, IndiaDeepika BairageeDepartment of Pharmaceutical Sciences, Mohanlal Sukhadia University, Udaipur, Rajasthan, IndiaDeepesh LallDepartment of Pharmaceutics, LCIT School of Pharmacy, Bilaspur, Chhattisgarh, IndiaGurdeep SinghSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, IndiaG.N. DarwhekarDepartment of Pharmacy, Acropolis Institute of Pharmaceutical Education & Research, Indore, Madhya Pradesh, IndiaKumar R. MahendraSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, IndiaKanav KheraSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, IndiaMittal MaheshwariInfoplus Technologies Pvt. Ltd., Hyderabad, IndiaNeeraj SharmaSchool of Pharmacy, IPS Academy, Indore, Madhya Pradesh, IndiaNeha SisodiyaDepartment of Pharmacy, Acropolis Institute of Pharmaceutical Education & Research, Indore, Madhya Pradesh, IndiaNainesh KelaDr. Reddy's Laboratories, Hyderabad, IndiaNaina DubeyFaculty of Pharmaceutical Sciences, Sanjeev Agrawal Global Educational (SAGE) University, Bhopal, Madhya Pradesh, IndiaNeeraj Kumar FuloriaPharmaceutical Chemistry Unit, Faculty of Pharmacy, AIMST University, Kedah, MalaysiaPragya LahoriFaculty of Pharmacy, Medicaps University, Indore, Madhya Pradesh, IndiaPriya MouryaDepartment of Pharmacy, Acropolis Institute of Pharmaceutical Education & Research, Indore, Madhya Pradesh, IndiaPragati BaghelDepartment of Pharmacognosy, Bharti Vishwavidyalaya, Durg, Chhattisgarh, IndiaPrashant UpadhyaySchool of Pharmaceutical Sciences, IFTM University, Moradabad, Uttar Pradesh, IndiaSteward MudendaDepartment of Pharmacy, University of Zambia, Lusaka, ZambiaSanjay JainFaculty of Pharmacy, Medicaps University, Indore, Madhya Pradesh, IndiaShweta BhandariDepartment of Pharmacy, Sumandeep Vidyapeeth Deemed to be University, Vadodara, Gujarat, IndiaSambhav LodhaFaculty of Pharmacy, Bhagwant University, Ajmer, IndiaSusanta Kumar SahuUniversity Department of Pharmaceutical Sciences, Vani Vihar, Utkal University, Bhubaneswar, Odisha, IndiaSampat Singh TanwarShri Vaishnav Vidyapeeth Vishwavidyalaya, Indore, Madhya Pradesh, IndiaSeema SharmaShri Vaishnav Vidyapeeth Vishwavidyalaya, Indore, Madhya Pradesh, IndiaSheema KhanUniversity of Texas Rio Grande Valley, McAllen, Texas, USASukirti UpadhyaySchool of Pharmaceutical Sciences, IFTM University, Moradabad, Uttar Pradesh, IndiaTulasee Lalitha ReddiInfoplus Technologies Pvt. Ltd., Hyderabad, IndiaTrupti DubeyFaculty of Pharmacy, Medicaps University, Indore, Madhya Pradesh, IndiaUrvashi SharmaFaculty of Pharmacy, Medicaps University, Indore, Madhya Pradesh, IndiaUpendra BhadoriyaSchool of Pharmacy, IPS Academy, Indore, Madhya Pradesh, IndiaVishal GargFaculty of Pharmacy, Jaipur School of Pharmacy, Maharaj Vinayak Global University, Jaipur, India

Artificial Intelligence (AI) and Drug Discovery

Deenanath Jhade1,Steward Mudenda2,Neeraj Sharma3,*
1 St. Wilfred’s Institute of Pharmacy, University of Mumbai, Mumbai, Maharashtra, India
2 Department of Pharmacy, University of Zambia, Lusaka, Zambia
3 School of Pharmacy, IPS Academy, Indore, Madhya Pradesh, India

Abstract

A potent tool that leverages human knowledge to solve complicated problems efficiently is artificial intelligence (AI). Drug research, pharmaceutical dosage formulation, and testing are at a turning point because of remarkable developments in AI and machine learning. Through the use of AI algorithms that examine vast amounts of biological data, such as proteomics and genomics, researchers can identify disease-associated targets and predict how they will interact with possible therapeutic options. This enables a more effective and precise approach to drug discovery, which in turn raises the possibility of drug approval. AI may also help reduce development expenses by streamlining research and development procedures. In addition to aiding in trial design, machine learning algorithms can predict the pharmacokinetics and toxicity of potential drugs. By prioritizing and optimizing the lead compounds, this capacity reduces the need for expensive and time-consuming animal testing. AI algorithms that evaluate actual patient data can support personalized medical strategies and improve patient adherence and treatment outcomes. This comprehensive overview examines the application of AI in drug discovery, dosage form design for drug delivery, process optimization, testing, and pharmacokinetics/pharmacodynamics (PK/PD) research. This chapter highlights the advantages and disadvantages of certain AI-based techniques used in pharmaceutical technologies. However, the pharmaceutical industry's ongoing investment and research present intriguing opportunities to improve patient care and drug development.

Keywords: Artificial intelligence (AI), Dosage form testing, Drug discovery, Machine learning, Pharmacodynamics, Pharmacokinetics, Physiologically-based pharmacokinetic (PBPK), Quantitative structure-activity relationship (QSAR).
*Corresponding author Neeraj Sharma: School of Pharmacy, IPS Academy, Indore, Madhya Pradesh, India; E-mail: [email protected]

INTRODUCTION

Artificial Intelligence (AI) refers to the simulation of human intelligence using computer systems to perform tasks, such as learning, reasoning, problem-solving, and decision-making. In healthcare, AI encompasses a wide range of applications,

from diagnostic tools to usage planning and from patient management to pharmaceutical research. The use of AI has expanded significantly, driven by advancements in machine learning, big data analytics, and computational power [1, 2]. AI can be used to analyze vast datasets, identify patterns, and provide actionable insights, making it an invaluable tool for addressing complex healthcare challenges. Its scope in healthcare extends beyond diagnostics and imaging, delving into areas, such as drug discovery, personalized medicine, and advanced drug delivery systems, where it aids in designing efficient, patient-centric solutions [3-5].

Overview of Drug Delivery Systems and Challenges in Discovery and Development

Despite significant advancements, the discovery and development of novel drug delivery systems remains fraught with numerous challenges. One of the primary obstacles lies in the complexity of the formulation design. Designing an effective drug delivery system requires understanding and predicting the interactions between drugs, polymers, and other excipients. These interactions are influenced by multiple variables, including chemical composition, concentration, and environmental conditions, making them a multifactorial problem. This process often requires extensive experimentation, trial and error, and iterative refinement, which can be resource-intensive and time-consuming [6-8].

Another major challenge is the high cost and time-consuming nature of the development process. Research, development, and testing of new drug delivery systems require significant financial and temporal investment. From the initial conceptualization to preclinical and clinical trials, each phase presents a high risk of failure. This not only delays the availability of innovative therapies but also poses financial risks to pharmaceutical companies, potentially discouraging investment in novel delivery technologies.

Biological variability adds another complexity to drug delivery. Human physiology is inherently variable, with differences in enzyme levels, metabolic rates, and disease states that influence drug efficacy. For example, a formulation that works well in one individual may not achieve the same therapeutic effect owing to differences in absorption, distribution, metabolism, or excretion. This variability complicates the development of universally effective drug delivery systems, underscoring the need for personalized approaches to treatment.

Additionally, regulatory hurdles impede progress in this field. New drug delivery systems must meet stringent safety and efficacy standards set by regulatory agencies before reaching the market. The approval process often involves exhaus- tive documentation, rigorous testing, and compliance with numerous guidelines, which can delay innovation and increase cost.

These challenges underscore the urgent need for innovative tools and methodologies to streamline the discovery process, optimize formulations, and predict outcomes more effectively. Integrating technologies, such as artificial intelligence, offers promising avenues to address these obstacles, thereby transforming the landscape of drug delivery research and development [9, 10].

Role of AI in Transforming Traditional Drug Delivery Research

Drug delivery systems are intended to transport therapeutics to their site of action in the body, enhance efficacy, and minimize side effects. Traditional approaches, such as tablets or injections, often suffer from limitations, such as poor bioavailability, systemic toxicity, and lack of targeted delivery. Modern approaches, including nanoparticles, liposomes, and transdermal patches, aim to overcome these issues by improving the controlled release, stability, and targeting mechanisms.

AI is revolutionizing traditional drug delivery research by offering powerful tools to address these challenges. Machine learning algorithms, for instance, can examine large datasets of drug properties, excipient combinations, and biological interactions to identify optimal formulations. Predictive representations can simulate drug release kinetics, bioavailability, and pharmacokinetics, significantly reducing the need for extensive in-vitro and in-vivo testing [11].

In addition, AI enables the design of personalized drug delivery systems by integrating patient-specific data, such as genetic information and disease profiles, to tailor treatment. AI-powered in-silico models facilitate virtual screening and rapid prototyping, thereby accelerating the development of innovative delivery platforms. Furthermore, AI-driven automation enhances precision in manufacturing and quality control, ensuring consistency in the delivery of drugs.

By influencing AI, investigators can overcome traditional bottlenecks, reduce costs, and enhance the accuracy of drug delivery systems, ultimately improving patient outcomes. This transformative potential highlights the importance of integrating AI into the drug discovery pipeline [1, 12].

HISTORICAL PERSPECTIVE ON DRUG DELIVERY SYSTEMS: FROM CONVENTIONAL METHODS TO ADVANCED CONTROLLED RELEASE

The evolution of drug delivery systems has been marked by a progressive shift from simple conventional methods to highly sophisticated controlled-release technologies. Initially, drug delivery primarily relied on basic oral and injectable formulations. Tablets, capsules, and intravenous injections have been designed to deliver therapeutic agents; however, they often suffer from limitations, such as poor bioavailability, rapid clearance from the body, and systemic side effects. These limitations stem from the inability to control the release rate or target specific sites within the body [13].

The development of sustained-release formulations in the mid-20th century marked a significant advancement, enabling the gradual release of drugs over extended periods of time. This innovation enhances patient compliance and therapeutic efficacy by reducing the frequency of dosing. Technologies, such as transdermal patches and depot injections, have been employed, enabling more consistent drug levels in the bloodstream.

In recent decades, the focus has shifted to controlled and targeted drug-delivery systems. These systems are designed to release drugs at specific rates, times, and sites in the body. Nanotechnology-based systems, such as liposomes, micelles, and nanoparticles, have revolutionized drug delivery by enhancing the solubility, stability, and targeting capabilities of therapeutic agents. Innovations, such as biodegradable implants and in situ gels, have further expanded the possibilities of localized and long-term drug delivery. The integration of personalized medicine and advanced diagnostics has also spurred the development of patient-specific delivery systems, paving the way for precision therapeutics [14].

The integration of AI into the pharmaceutical sciences has been a transformative journey. Early applications of AI in the 1980s and 1990s primarily focused on data management and statistical modeling. These early systems were limited in scope but laid the foundation for more complex AI-driven tools.

The 21st century saw the emergence of machine learning procedures accomplished by analyzing large datasets to recognize patterns and predict outcomes. In drug discovery, these algorithms were initially used for the virtual screening of compounds and the prediction of their pharmacokinetic properties. By the 2010s, AI had advanced to enable in-silico modeling of drug delivery systems. Researchers have begun leveraging neural networks and reinforcement learning to optimize formulations and simulate drug release kinetics, thereby reducing reliance on time-consuming laboratory experiments.

Significant milestones include the application of AI in nanotechnology-based drug delivery systems, which have been used to design nanoparticles with optimal size, shape, and surface characteristics for targeted therapy (Table 1). AI has also played a critical role in developing controlled-release systems, enabling precise prediction of drug release profiles and enhancing bioavailability [15].

Table 1Milestones in the integration of AI into pharmaceutical sciences [13-15].YearMilestonesDescription1952Introduction of Spansule® TechnologyThe advent of Spansule® sustained-release capsule technology marked the beginning of modern drug delivery systems, allowing for 12-hour drug release post-oral administration.1980sDevelopment of Oral and Transdermal FormulationsOral and transdermal formulations were developed to provide therapeutic durations up to 24 hours for small molecules, dominating the drug delivery field and market.1990sEmergence of Controlled Drug Delivery DevicesThe earliest controlled drug delivery devices reached the clinics, enabling more precise control over drug release rates and improving therapeutic outcomes.2010sAI in Drug Discovery and DevelopmentAI began to be utilized in drug discovery, dosage form designs, process optimization, testing, and pharmacokinetics/pharmacodynamics (PK/PD) studies, enhancing efficiency and effectiveness.2016Advancements in AI Algorithms for Drug DevelopmentThe development of AI algorithms, such as the “In-silico Pathway Activation Network Decomposition Analysis” (iPANDA), enabled researchers to analyze signaling and metabolic pathway perturbation states using gene expression data.2023Integration of Generative AI in Pharmaceutical R&DGenerative AI began reshaping strategic visions for R&D across industries, with applications delivering value along the entire pharmaceutical value chain from early discovery to regulatory approval.2024AI-Driven Drug Discovery BreakthroughsAI firms, such as Iambic Therapeutics, unveiled AI models capable of significantly reducing the time and cost required for drug development, marking a new era in pharmaceutical innovation.

In recent years, the integration of AI with emerging technologies, such as 3-dimensional printing (3D printing) and biosensors, has opened new avenues for innovation. AI-driven 3D printing enables the fabrication of personalized drug delivery devices, while AI-powered biosensors facilitate real-time monitoring and adaptive drug administration. AI has been instrumental in overcoming regulatory challenges by automating documentation and predicting clinical trial outcomes.

These milestones highlight the pivotal role of AI in shaping the future of pharmaceutical sciences, particularly in the discovery and optimization of advanced drug delivery systems. Owing to its ability to accelerate innovation and improve precision, AI continues to redefine the boundaries of what is possible in drug delivery research.

AI TECHNIQUES IN DRUG DELIVERY

The integration of AI into drug delivery has revolutionized the field by providing innovative tools for designing, optimizing, and evaluating drug delivery systems. From machine learning to computer vision, various AI techniques have significantly improved the precision, effectiveness, and personalization of drug delivery [11].

Machine Learning (ML): Regression Models, Classification, and Clustering for Drug Delivery Optimization

Machine Learning (ML) serves as a cornerstone in modern drug delivery optimization, providing tools for data-driven decision-making. Regression models are extensively used to predict drug release profiles, pharmacokinetics, and pharmacodynamics, based on formulation parameters. These models help researchers estimate key outcomes, such as bioavailability and therapeutic efficacy, reducing the need for extensive experimental trials. Classification algorithms, on the other hand, can categorize drug delivery systems based on performance metrics, such as release rate or stability, under various conditions. Clustering techniques allow for the grouping of similar formulations, thereby facilitating the identification of optimal combinations of excipients and polymers. Overall, ML enhances the efficiency and precision of drug delivery system design by leveraging large datasets to predict and optimize outcomes [16].

Deep Learning (DL): Neural Networks in Understanding Molecular Structures and Predicting Drug Behavior

Deep Learning (DL), a subset of ML, employs neural networks to process complex datasets and uncover intricate patterns. DL is particularly useful for understanding the molecular structures and predicting the behavior of drugs within delivery systems. Convolutional Neural Networks (CNNs) can determine molecular images to identify structural features that influence solubility, stability, and interaction with delivery vehicles. Recurrent Neural Networks (RNNs), including advanced variants, such as Long Short-Term Memory (LSTM) networks, are employed to model sequential data, such as time-dependent drug release profiles. DL can guide the development of more effective and targeted delivery systems [3].

Natural Language Processing (NLP): Extraction of Insights from Biomedical Literature for Drug Formulation

Natural Language Processing (NLP) enables researchers to extract valuable insights from the vast volumes of biomedical literature and clinical data. By analyzing scientific articles, patents, and regulatory documents, NLP tools can be used to identify trends, novel drug delivery mechanisms, and potential formulation strategies. For instance, sentiment analysis and text-mining techniques can highlight critical findings related to the stability and efficacy of certain polymers or nanocarriers. In addition, NLP facilitates the creation of structured databases from unstructured text, providing researchers with actionable data for designing innovative drug delivery systems. This capability accelerates the research process, ensuring that the most relevant information is readily available for informed decision-making [8].

Reinforcement Learning (RL): Designing Optimal Drug Delivery Pathways

Reinforcement Learning (RL), a type of AI that learns optimal strategies through trial and error, has many applications in drug delivery. RL algorithms simulate various delivery scenarios to determine the most effective pathways to achieve therapeutic goals. For example, in targeted drug delivery, RL can optimize the trajectory of nanoparticles or drug carriers to reach specific tissues or cells, while avoiding undesired areas. These algorithms can also adapt to dynamic biological environments, ensuring that the drug delivery system responds effectively to changing conditions, such as pH levels or enzyme activity. By continuously refining strategies based on feedback, RL offers a robust framework for improving the precision and efficiency of drug delivery mechanisms [10].

Computer Vision: Role in Analyzing Microscopic Images for Drug Distribution Studies

Computer vision, a field of AI focused on image analysis, plays a crucial role in studying drug distribution at the microscopic level. Advanced imaging techniques, such as fluorescence microscopy and confocal laser scanning microscopy, generate high-resolution images of drug delivery systems that interact with biological tissues. Computer vision algorithms can analyze these images to quantify drug penetration, distribution, and retention within the targeted areas. For instance, segmentation algorithms can differentiate between drug-laden nanoparticles and the surrounding cellular structures, whereas tracking algorithms monitor their movement over time. These insights are invaluable for understanding the efficiency of drug delivery systems and for making data-driven improvements to their design [1, 3, 16].

Together, these AI techniques provide a comprehensive toolkit for overcoming trials in drug delivery research, driving innovation, and allowing the development of more effective, targeted, and personalized therapeutic solutions.

APPLICATIONS OF AI IN DRUG DELIVERY

The application of AI in drug delivery is revolutionizing pharmaceutical research and the design of therapeutic treatments. AI-driven approaches, such as QSAR modeling, enable the prediction of biological activity based on molecular structure, streamlining the identification of potent drug candidates. In drug formulation, AI assists in optimizing ingredient combinations, enhancing bioavailability, and predicting formulation stability. Personalized medicine, another vital area, leverages AI to tailor drug regimens based on individual genetic profiles, improving therapeutic efficacy and minimizing side effects (Fig. 1). Furthermore, AI facilitates the development of advanced drug delivery systems, such as smart nanoparticles and controlled-release formulations, by simulating drug release kinetics and tissue targeting. Collectively, these innovations enhance precision, speed, and success rates in modern drug development.

Fig. (1)) Applications of AI in drug discovery.

Formulation Design and Optimization

AI plays a crucial role in the designing and optimization of drug delivery formulations, offering predictive tools that significantly reduce experimentation time and cost. By analyzing drug-polymer interactions, AI models can predict compatibility, stability, and efficacy, helping researchers select the best combinations for their formulations. This is particularly beneficial in the development of advanced delivery systems, such as nanoparticles and liposomes, where numerous variables, including size, charge, and encapsulation efficiency, need to be optimized. Machine learning algorithms evaluate large datasets to identify optimal formulation parameters, ensuring effective drug delivery while minimizing toxicity.

Predicting drug-polymer interactions is a critical step in the formulation of progressive drug delivery systems. These interactions determine the stability, compatibility, and efficacy of the formulation, thereby influencing drug discharge outlines and therapeutic consequences. Traditional methods for evaluating these interactions often involve labor-intensive experimental trials, which can be time- and resource-intensive. AI, particularly ML and DL, has emerged as a transformative tool in this domain.

AI algorithms analyze vast datasets comprising molecular structures, physicochemical properties, and experimental outcomes to predict drug-polymer compatibility. These models can identify patterns and correlations that are not readily apparent using conventional analyses. For instance, regression models predict how changes in the polymer concentration, molecular weight, or functional groups affect drug solubility and release. Classification algorithms categorize drug-polymer combinations based on their likelihood of forming stable complexes, whereas clustering techniques group similar polymers for efficient screening [17].

Deep learning further enhances the predictive accuracy by leveraging neural networks to model complex interactions at the molecular level. As previously discussed, techniques, such as CNNs, can analyze molecular images to identify structural features that promote or hinder interactions. Additionally, RL can optimize formulation parameters iteratively, simulating experimental conditions to refine predictions.

The ability to predict drug-polymer interactions accurately reduces the need for trial-and-error trials, saving time and resources while accelerating the growth of innovative drug delivery systems. This approach not only streamlines formulation design but also enhances the likelihood of success in clinical applications, ensuring that therapeutic goals are met efficiently and effectively.

Nanoparticles (NPs) and liposomes are highly versatile drug delivery systems that enhance the efficacy and safety of therapeutics by providing targeted delivery, controlled release, and improved bioavailability. However, optimizing these systems involves managing the complex interplay of variables, including size, surface charge, drug encapsulation efficiency, stability, and drug release profiles. AI technologies have emerged as powerful tools to address these challenges, making the optimization process more efficient and precise.

Nanoparticle formulations rely on the selection of suitable materials, such as polymers, surfactants, and stabilizers, along with fine-tuning process parameters, such as temperature and stirring speed. AI-driven machine learning (ML) models analyze large datasets to predict the relationships between these factors and critical formulation attributes, such as particle size and encapsulation efficiency. For example, regression models can predict the effects of polymer concentration and solvent type on drug loading, whereas clustering algorithms group nanoparticles with similar properties for targeted applications. Thus, AI reduces the need for labor-intensive trial-and-error experimentation [18].

Liposomes, which are spherical vesicles with phospholipid bilayers, are widely used for drug delivery, especially in cancer therapy and vaccine development. AI enhances liposome design by predicting the optimal lipid composition, hydration conditions, and preparation techniques. Neural networks and other deep learning models analyze molecular structures and interactions to identify lipid combinations that provide maximum drug encapsulation and stability. AI also helps in fine-tuning process conditions, such as sonication time and temperature, to produce liposomes with the desired size and uniformity.

Stability and performance are critical for both nanoparticles and liposomes, as they must maintain their structural integrity during storage and administration. AI models predict potential issues, such as aggregation, leakage, or degradation, by analyzing factors, such as the surface charge and environmental conditions. These predictions will enable researchers to optimize formulations proactively, ensuring long-term stability and consistent therapeutic efficacy.

Controlled drug release and targeted delivery are key advantages of nanoparticles and liposomes. AI algorithms, including RL, simulate release profiles under various physiological conditions to optimize the amount and duration of drug discharge. Similarly, AI-driven models forecast how surface modifications, such as PEGylation or ligand attachment, enhance the targeting efficiency of these systems. This ensures that drugs are delivered precisely to their intended site of action, reducing off-target effects and improving treatment outcomes.

By leveraging AI, the optimization process for nanoparticles and liposomes becomes significantly faster and more cost-effective. Traditional experimentation can take months or years to identify the best formulation, whereas AI-driven predictions allow researchers to narrow down promising candidates within days or weeks. This acceleration is especially valuable in urgent scenarios, such as vaccine development during a pandemic or rapid prototyping of cancer therapies.

The AI-driven optimization of nanoparticles and liposomes represents a paradigm shift in drug delivery research, enabling the development of sophisticated, patient-centered therapeutic solutions with unprecedented speed and accuracy.

Targeted Drug Delivery

One of the most important applications of AI is the enhancement of targeted drug delivery. AI models enable the development of site-specific delivery systems by predicting the optimal pathways for drugs to reach their desired location in the body. This has significant applications in oncology, where precision in drug targeting minimizes harm to healthy tissues while maximizing the therapeutic effects. Similarly, AI supports the treatment of CNS disorders by optimizing drug delivery systems that cross the blood-brain barrier. In precision medicine, AI-driven targeted delivery systems tailor their approach to individual patient profiles, thereby improving treatment outcomes [19].

Site-specific drug delivery is a critical focus in modern therapeutics, with the aim of delivering drugs directly to target tissues or organs while minimizing systemic side effects. Achieving this precision requires an understanding of complex biological systems and designing delivery mechanisms tailored to the target site. AI models have revolutionized site-specific delivery by offering predictive and optimization tools that refine the design of delivery systems and improve therapeutic outcomes.

AI models, mainly those utilizing ML and DL, determine vast datasets from genomics, proteomics, and imaging studies to identify potential therapeutic targets. For instance, in oncology, AI algorithms can pinpoint molecular markers unique to tumor cells, thereby guiding the design of drug delivery systems that selectively bind to cancerous tissues. Similarly, in neurological disorders, AI models help identify transport mechanisms that facilitate crossing the blood-brain barrier (BBB), which is a critical challenge in CNS drug delivery.

AI aids in the development of delivery vehicles, such as nanoparticles, liposomes, and hydrogels, by predicting their interaction with biological barriers and tissues. Through simulations, AI models determine the optimal size, surface charge, and functionalization of these carriers to enhance targeting efficiency. For example, functionalization of nanoparticles with ligands or antibodies specific to overexpressed receptors at the target site can be optimized using AI. These predictions minimize the experimental iterations and save time and resources.

AI also supports the optimization of delivery pathways, such as the intravenous, oral, or intranasal routes, based on the desired site of action. RL algorithms simulate various pathways to determine the most effective and least invasive routes for drug delivery to specific locations. This approach is particularly valuable under conditions where traditional delivery methods are inefficient, such as targeting deep-seated tumors or delivering drugs across the BBB [20].

Enhancing Dynamic Adaptability

Site-specific delivery often requires adaptation to dynamic physiological conditions, such as changes in pH, temperature, or enzyme activity, at the target site. AI models incorporate these variables into their predictions, thereby guiding the design of stimuli-responsive delivery systems. For example, pH-sensitive nanoparticles optimized through AI can release drugs specifically in the acidic microenvironment of tumors, ensuring localized action and reducing systemic exposure.

AI-driven site-specific delivery has transformed applications in multiple therapeutic areas. In oncology, AI enhances the precision of delivering chemotherapeutics to tumors, thereby reducing off-target toxicity. In CNS disorders, AI-optimized systems improve drug penetration across the BBB, enabling the effective treatment of conditions, such as Alzheimer’s and Parkinson’s disease. In infectious diseases, site-specific delivery ensures that antibiotics are concentrated at the site of infection, minimizing the development of resistance.

Traditional methods for developing site-specific delivery systems involve extensive experimental trial and error. AI significantly reduces this burden by providing robust predictions and simulations and accelerating the translation of concepts into clinical applications. This efficiency not only lowers development costs but also enables faster responses to emerging medical challenges, such as designing targeted therapies during pandemics [21].