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.

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. - Covers the latest information and state-of-the-art trends in structure-based drug design methodologies - Includes case studies that complement learning - Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

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.

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.

Dr Alagarsamy's Textbook of Medicinal Chemistry is a much-awaited masterpiece in its arena. Targeted mainly to B. Pharm. students, this book will also be useful for M. Pharm. as well as M. Sc. organic chemistry and pharmaceutical chemistry students. It aims at eliminating the inadequacies in teaching and learning of medicinal chemistry by providing enormous information on all the topics in medicinal chemistry of synthetic drugs. Salient Features Contains clear classification, synthetic schemes, mode of action, metabolism, assay, pharmacological uses with the dose and structure–activity relationship (SAR) of the following classes of drugs: Drugs acting on inflammation Drugs acting on respiratory system Drugs acting on digestive system Drugs acting on blood and blood-forming organs Drugs acting on endocrine system Contains a complete section on chemotherapy and the various classes of chemotherapeutic agents. Also includes recent topics like anti-HIV agents Contains brief introduction about the physiological and pathophysiological conditions of diseases and their treatment under each topic Provides well-illustrated synthetic schemes and alternative synthetic routes for majority of drugs that help in quick and enhanced understanding of the subject Covers the syllabi of majority of Indian universities

Buy E-Book of Computer Aided Drug Design (English Edition) Book For B.Pharm 8th Semester of U.P. State Universities

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed. - Highlights in silico approaches to drug design and discovery using computational tools and techniques - Details ligand-based and structure-based drug design in a comprehensive and systematic approach - Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing