Computational Approaches in Drug Discovery and Design

Drug discovery is an expensive and complicated process. The drug must fulfill some criteria of being nontoxic, bioavailable, and potent. In the view of evermore stringent demands about efficacy, potency, and safety, the finding of the new drug-like molecu

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puter-Aided Drug Design

Computer-Aided Drug Design

Dev Bukhsh Singh Editor

Computer-Aided Drug Design

Editor Dev Bukhsh Singh Department of Biotechnology, Institute of Biosciences and Biotechnology Chhatrapati Shahu Ji Maharaj University Kanpur, Uttar Pradesh, India

ISBN 978-981-15-6814-5 ISBN 978-981-15-6815-2 https://doi.org/10.1007/978-981-15-6815-2

(eBook)

# The Editor(s) (if applicable) and The Author(s), under exclusive licence to Springer Nature Singapore Pte Ltd. 2020 This work is subject to copyright. All rights are solely and exclusively licensed by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors, and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, expressed or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. This Springer imprint is published by the registered company Springer Nature Singapore Pte Ltd. The registered company address is: 152 Beach Road, #21-01/04 Gateway East, Singapore 189721, Singapore

Foreword

Ever since the cracking of the human genome in the beginning of the present century, scientists have been engaged in locating the drug targets and designing and developing novel drugs through the system’s approach. This has resulted in a tremendous reduction in research and production costs. Earlier, the drug design process used to take many decades and was carried out haphazardly without any direction. Already the surge in bioinformatics solutions has redefined the way drug trials are done and making a shift from in vitro to in silico. In this age of multiple drug resistance, in silico drug design could be used to shorten the time of discovery and this issue shall remain the biggest challenge for years to come. In the present fast changing scenario, it is difficult to manage expressive coherence in this rapidly growing area of drug designing. I am happy that Dr. Dev has ventured to collect twelve well-written chapters and has brought an edited book named “Computer-Aided Drug Design” to be published by Springer Nature, Singapore. I feel that the authors are quite successful in “fusing” the otherwise diverse

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