Textbook Of Computer Aided Drug Development
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Textbook Of Computer Aided Drug Development
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Author : Dr. Surya Devarakonda, Dr. Purma Aravinda Reddy , Dr. Divya Yada , Ms. Bansi H. Zalavadia , Dr. Reeta Sethi
language : en
Publisher: Shashwat Publication
Release Date : 2024-09-02
Textbook Of Computer Aided Drug Development written by Dr. Surya Devarakonda, Dr. Purma Aravinda Reddy , Dr. Divya Yada , Ms. Bansi H. Zalavadia , Dr. Reeta Sethi and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-02 with Education categories.
This book explores the use of computer-assisted techniques in the discovery, design, optimization, and production of innovative pharmaceutical formulations and drug delivery systems, with an emphasis on their effectiveness and safety. It discusses computational methods, statistical and molecular modeling, all aimed at advancing the development and safe administration of drugs in humans. The book thoroughly examines the integration of Quality by Design (QbD), Design of Experiments (DoE), artificial intelligence, and in silico pharmacokinetic assessment/simulation, facilitated by commercial software and expert systems, and includes examples from recent research. "Computer-aided Pharmaceutics and Drug Delivery" serves as a comprehensive reference for the latest scholarly updates on emerging developments in computer-assisted techniques for drug design and development. It is intended for pharmacists, medical practitioners, students, and researchers seeking authoritative insights into this evolving field.
Textbook Of Computer Aided Drug Development
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Author : Prof. (Dr.) Keerthi. G. S. Nair
language : en
Publisher: Shashwat Publication
Release Date : 2024-08-07
Textbook Of Computer Aided Drug Development written by Prof. (Dr.) Keerthi. G. S. Nair and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-07 with Fiction categories.
This book delves into the utilization of computer-assisted techniques in the exploration, design, optimization, and production of novel pharmaceutical formulations and drug delivery systems, with a focus on their efficacy and safety. It covers computational methods, statistical and molecular modeling, all aimed at facilitating the development and safe administration of drugs in humans. The integration of Quality by Design (QbD), Design of Experiments (DoE), artificial intelligence, and in silico pharmacokinetic assessment/simulation is greatly facilitated by commercial software and expert systems, all of which are thoroughly examined in this title, accompanied by examples drawn from recent research. "Computer-aided Pharmaceutics and Drug Delivery" serves as a comprehensive reference for the latest scholarly updates on emerging developments in computer-assisted techniques for drug design and development. It is tailored for pharmacists, medical practitioners, students, and researchers seeking authoritative insights into this evolving field.
Textbook Of Computer Aided Drug Development
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Author : Dr. Hemalatha KP , Dr. Kapil Malviya , Dr. K. Rajyalakshmi , Mrs. Iniya Madhan Kumaar , Dr. Ruchi Tiwari
language : en
Publisher: Shashwat Publication
Release Date : 2025-04-04
Textbook Of Computer Aided Drug Development written by Dr. Hemalatha KP , Dr. Kapil Malviya , Dr. K. Rajyalakshmi , Mrs. Iniya Madhan Kumaar , Dr. Ruchi Tiwari and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-04-04 with Fiction categories.
The rapid advancement of computational technologies has revolutionized drug discovery and development, enabling researchers to design and optimize pharmaceutical compounds with unprecedented precision and efficiency. Computer-Aided Drug Development is a comprehensive textbook that explores the theoretical foundations, methodologies, and applications of computational tools in modern drug discovery. The primary objective of this textbook is to bridge the gap between computational theory and practical applications. It introduces readers to essential computational tools and software, demonstrating their real-world relevance through case studies and industry applications. By integrating fundamental concepts with cutting-edge advancements, this book aims to equip readers with the knowledge and skills required to harness computational methods for efficient and cost-effective drug development.
Computer Aided Drug Design
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Author : Dr. V. Ganesan
language : en
Publisher: Thakur Publication Private Limited
Release Date : 2021-03-10
Computer Aided Drug Design written by Dr. V. Ganesan and has been published by Thakur Publication Private Limited this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-10 with Medical categories.
Purchase the e-Book version of ‘Computer Aided Drug Design’ for B.Pharm 8th Semester, meticulously aligned with the PCI Syllabus. Published by Thakur Publication, this digital edition offers a comprehensive exploration of advanced instrumentation techniques at your fingertips. Upgrade your learning experience with the convenience and portability of an e-Book. Dive into the world of cutting-edge pharmaceutical instrumentation with ease. Get your copy today and embark on a journey of enhanced understanding.
Text Book Of Computer Aided Drug Design
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Author : Valapa Anusha, Lalbihari Barik, Prashant Gupta, Dr Pichika Mallikarjuna Rao, Mak Kit-Kay
language : en
Publisher: Shashwat Publication
Release Date : 2025-05-30
Text Book Of Computer Aided Drug Design written by Valapa Anusha, Lalbihari Barik, Prashant Gupta, Dr Pichika Mallikarjuna Rao, Mak Kit-Kay and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-30 with Fiction categories.
The Text Book of Computer Aided Drug Design is a comprehensive guide covering modern techniques used in computational drug discovery. It begins with an introduction to Computer Aided Drug Design (CADD), highlighting its history, fundamental principles, and wide-ranging applications. The book then delves into Quantitative Structure-Activity Relationships (QSAR), explaining basics, the evolution of QSAR methodologies, and the importance of physicochemical parameters like electronic, lipophilicity, and steric effects. Both experimental and theoretical approaches for parameter determination are detailed. Further, it elaborates on Hansch and Free Wilson analysis, deriving 2D-QSAR equations, and advanced 3D-QSAR approaches along with contour map interpretation. A dedicated section discusses the crucial role of molecular modeling and quantum mechanics in drug design. It contrasts global minimum energy conformations with bioactive conformations and thoroughly explains rigid, flexible, and extra-precision molecular docking techniques. The text also explores enzyme targets such as DHFR, HMG-CoA reductase, HIV protease, and cholinesterases, emphasizing the design of inhibitors. Another highlight is the prediction of ADMET properties essential for successful drug candidates. De novo drug design is explored with focus on receptor/enzyme interactions, cavity predictions, and fragment-based approaches. Techniques like homology modeling and generation of 3D protein structures are covered to support structure-based drug design. The final chapters are dedicated to pharmacophore mapping and virtual screening methods. Readers learn about pharmacophore identification, conformational search techniques, in silico drug design strategies, and both similarity-based and structure-based virtual screening approaches. Rich in theory and practical approaches, this book serves as an essential resource for pharmacy, medicinal chemistry, and computational biology students. It bridges fundamental concepts with advanced drug discovery techniques. It is ideal for both beginners seeking a strong foundation and researchers aiming for advanced applications. Comprehensive examples, models, and updated techniques make it highly relevant to current pharmaceutical research and industry needs.
Computer Aided Drug Development
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Author : Dr. Anamika Saxena, Mrs. Disha Dutta, Ms. Baljeet Kaur, Mr. Vikas Bhatt, Mrs. Ramsha Aslam
language : en
Publisher: Shashwat Publication
Release Date : 2024-06-10
Computer Aided Drug Development written by Dr. Anamika Saxena, Mrs. Disha Dutta, Ms. Baljeet Kaur, Mr. Vikas Bhatt, Mrs. Ramsha Aslam and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-06-10 with Medical categories.
To introduce the book "Computer Aided Drug Development" brings me immense delight. The content of this book has been carefully crafted, adhering to the Pharmacy Council of India's mandated curriculum for Master of Pharmacy students. Research on the topic has attempted to use as simple a terminology as feasible in order to facilitate student understanding. Throughout the book, there are a lot of flowcharts and illustrations to aid students in understanding difficult ideas. It is the author's honest wish that students and academics alike may gain something from reading this book. This book Computer Aided Drug Development describes Computers in Pharmaceutical Research and Development, Quality-by-Design In Pharmaceutical Development, Computational Modeling Of Drug Disposition: Introduction, Modeling Techniques, Computer-aided formulation development, Computer-aided biopharmaceutical characterization, Computer Simulations in Pharmacokinetics and Pharmacodynamics, Artificial Intelligence (AI), Robotics and Computational fluid dynamics.
Computer Aided And Machine Learning Driven Drug Design
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Author : Vinícius Gonçalves Maltarollo
language : en
Publisher: Springer Nature
Release Date : 2025-02-27
Computer Aided And Machine Learning Driven Drug Design written by Vinícius Gonçalves Maltarollo and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-27 with Science categories.
The computer-aided drug design research field comprises several different knowledge areas, and often, researchers are only familiar or experienced with a small fraction of them. Indeed, pharmaceutical industries and large academic groups rely on a broad range of professionals, including chemists, biologists, pharmacists, and computer scientists. In this sense, it is difficult to be an expert in every single CADD approach. Furthermore, there are well-established methods that are constantly revisited, and novel approaches are introduced, such as machine-learning based scoring functions for molecular docking. This book provides an organized update of the most commonly employed CADD techniques, as well as successful examples of actual applications to develop bioactive compounds/drug candidates. Also includes is a section of case studies that cover certain pharmacological/target classes, focusing on the applications of the previously described methods. This part will especially appeal to professionals who are not as interested in the theoretical aspects of CADD. This is an ideal book for students, researchers, and industry professionals in the fields of pharmacy, chemistry, biology, bioinformatics, computer sciences, and medicine who are seeking a go-to reference on drug design and medicinal chemistry.
Computer Aided Drug Development
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Author : DR. I. SOMASUNDARAM
language : en
Publisher: NEXUS KNOWLEDGE PUBLICATION
Release Date :
Computer Aided Drug Development written by DR. I. SOMASUNDARAM and has been published by NEXUS KNOWLEDGE PUBLICATION this book supported file pdf, txt, epub, kindle and other format this book has been release on with Medical categories.
The field of drug discovery and development has witnessed a transformative evolution with the advent of computational technologies. Computer Aided Drug Development emerges at the intersection of pharmaceutical sciences and computer science, offering innovative strategies that significantly reduce the time, cost, and resources traditionally associated with developing new therapeutic agents. This book is designed to provide readers—students, researchers, and professionals alike—with a comprehensive understanding of the principles, tools, and applications involved in computer-aided approaches to drug design. It explores the integration of computational techniques such as molecular modeling, virtual screening, quantitative structure-activity relationship (QSAR) modeling, molecular docking, pharmacophore modeling, and bioinformatics in the modern drug discovery pipeline. The goal of this book is to demystify the complex landscape of computational drug development and to present it in a clear, accessible, and practical manner. Each chapter is carefully structured to balance theoretical concepts with real-world applications, drawing upon current trends, validated software tools, and case studies from pharmaceutical research. The importance of computer-aided drug design (CADD) cannot be overstated in today's data-driven pharmaceutical industry. By offering insights into both ligand-based and structure-based approaches, this book serves as a vital resource for those aiming to understand and contribute to the future of drug discovery. It is my hope that Computer Aided Drug Development will inspire readers to explore new ideas, adopt innovative methodologies, and pursue impactful research in the quest for more effective and safer therapeutic solutions.
Computer Aided Drug Design
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Author : Dev Bukhsh Singh
language : en
Publisher: Springer Nature
Release Date : 2020-10-09
Computer Aided Drug Design written by Dev Bukhsh Singh and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-09 with Medical categories.
This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.
A Textbook Of Novel Drug Delivery Systems
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Author : Dr. Praveen Khirwadkar , Ms. Snigdha S. Babu, Mrs. Iniya Madan Kumaar, Mrs. Patibandla Jahnavi , Dr. Rajesh V. Khandeshi
language : en
Publisher: Shashwat Publication
Release Date : 2025-07-28
A Textbook Of Novel Drug Delivery Systems written by Dr. Praveen Khirwadkar , Ms. Snigdha S. Babu, Mrs. Iniya Madan Kumaar, Mrs. Patibandla Jahnavi , Dr. Rajesh V. Khandeshi and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-28 with Fiction categories.
It gives us immense joy to introduce the book Novel Drug Delivery Systems. This book has been carefully designed to align with the Bachelor of Pharmacy curriculum prescribed by the Pharmacy Council of India. Every effort has been made to present the content in straightforward and accessible language, ensuring that students can easily grasp the material. The inclusion of illustrations, such as flowcharts and diagrams, further simplifies complex concepts, making them easier to understand. The book is written with the hope that it will be well-received by both students and educators. Constructive feedback and suggestions are always welcome, as they contribute to continuous improvement. While every effort has been made to avoid errors, we take full responsibility for any inadvertent mistakes and would deeply appreciate it if readers bring them to our attention.