Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

by Siavoush Dastmalchi, Maryam Hamzeh-Mivehroud, Babak Sokouti

Overview

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

Product Details

ISBN-13:	9781522503620
Publisher:	IGI Global
Publication date:	05/31/2016
Pages:	388
Product dimensions:	8.50(w) x 11.00(h) x 0.88(d)

Editorial Reviews

Reviewer: Rahmat M. Talukder, PhD, RPh (The University of Texas at Tyler)
Description: This well-referenced book presents various aspects of molecular docking techniques in drug design. A helpful synopsis of each chapter appears at the beginning of the book.
Purpose: The goal of molecular docking in drug discovery is to predict ligand-receptor complex structure using computational methods, which eventually helps rational drug design. Advances in artificial intelligence are expected to reduce computational costs, which may bring docking application to a new level. Thus, for many chemists, molecular docking is becoming the preferred tool for virtual screening of small drug molecules. The objective of this book is to discuss methodologies for molecular docking and their application in drug design.
Audience: The intended audience is medicinal chemists and students, and they will find this book useful, as will individuals interested in learning the fundamentals of molecular docking. The authors are educators and with postgraduate training in related fields.
Features: The book is organized into 11 chapters presenting various topics in molecular docking-based drug design. Notable chapters include an introduction to applications of molecular docking in computer-assisted drug design, challenges and limitations of molecular docking, and applications of molecular docking other than in drug design. Molecular docking-based antiallergic drug design and elucidation of interactions between Ebola virus glycoprotein and human TLR4 using molecular docking techniques are presented well. A few interesting case studies pertaining to different methodologies are presented. The first chapter could have elaborated more on docking methodologies used in drug design and a glossary of key terms would have been helpful.
Assessment: The authors of this book have tried to present the complex phenomena related to molecular docking in a logical manner. A few case studies pertaining to different methodologies should be useful to readers. Students and scientists who are interested in learning the applications of molecular docking in drug design will find this a useful reference.

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