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9783659909795: Structure and Reactivity of few Anti-TB Drug Molecules: A Density Functional Theory Approach

Synopsis

Computer-aided drug design have emerged as a promising alternative tool to replace the conventional complex, expensive and very time consuming way of designing and development of new potential drugs. In this book, the author presents a comprehensive coverage of the topic with special emphasis on investigation of structure and properties of few organic bio-active molecules having anti-tubercular activities using several molecular modeling techniques. The key features of this book are: Focuses on quantum chemical calculations performed to determine the structure and reactivity of two of the most commonly used anti-tubercular drug molecules INH, PZA including MHI which is a novel natural analogue of INH. This book also gives a detailed insight into the mode of interaction of INH that involves binding of isoniazid-NAD adducts to the active site of Mycobacterium tuberculosis enoyl-ACP reductase (InhA) studied using docking and quantum mechanics/molecular mechanics (QM/MM) approaches. The book should be of help to the research students working in the field of drug designing especially using molecular modelling techniques.

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  • ÉditeurLAP LAMBERT Academic Publishing
  • Date d'édition2016
  • ISBN 10 3659909793
  • ISBN 13 9783659909795
  • ReliureBroché
  • Langueanglais
  • Nombre de pages100
  • Coordonnées du fabricantnon disponible

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Kalyan Kr Hazarika
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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Hazarika Kalyan KrDr Kalyan Kr Hazarika, M.Sc., Ph.D has been serving for the Department of Molecular Biology & Biotechnology, Tezpur University, Assam, India. His research interest includes computational studies of bioactive natural. N° de réf. du vendeur 158125230

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Taschenbuch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Computer-aided drug design have emerged as a promising alternative tool to replace the conventional complex, expensive and very time consuming way of designing and development of new potential drugs. In this book, the author presents a comprehensive coverage of the topic with special emphasis on investigation of structure and properties of few organic bio-active molecules having anti-tubercular activities using several molecular modeling techniques. The key features of this book are: Focuses on quantum chemical calculations performed to determine the structure and reactivity of two of the most commonly used anti-tubercular drug molecules INH, PZA including MHI which is a novel natural analogue of INH. This book also gives a detailed insight into the mode of interaction of INH that involves binding of isoniazid-NAD adducts to the active site of Mycobacterium tuberculosis enoyl-ACP reductase (InhA) studied using docking and quantum mechanics/molecular mechanics (QM/MM) approaches. The book should be of help to the research students working in the field of drug designing especially using molecular modelling techniques. N° de réf. du vendeur 9783659909795

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Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Computer-aided drug design have emerged as a promising alternative tool to replace the conventional complex, expensive and very time consuming way of designing and development of new potential drugs. In this book, the author presents a comprehensive coverage of the topic with special emphasis on investigation of structure and properties of few organic bio-active molecules having anti-tubercular activities using several molecular modeling techniques. The key features of this book are: Focuses on quantum chemical calculations performed to determine the structure and reactivity of two of the most commonly used anti-tubercular drug molecules INH, PZA including MHI which is a novel natural analogue of INH. This book also gives a detailed insight into the mode of interaction of INH that involves binding of isoniazid-NAD adducts to the active site of Mycobacterium tuberculosis enoyl-ACP reductase (InhA) studied using docking and quantum mechanics/molecular mechanics (QM/MM) approaches. The book should be of help to the research students working in the field of drug designing especially using molecular modelling techniques. 100 pp. Englisch. N° de réf. du vendeur 9783659909795

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Taschenbuch. Etat : Neu. Neuware -Computer-aided drug design have emerged as a promising alternative tool to replace the conventional complex, expensive and very time consuming way of designing and development of new potential drugs. In this book, the author presents a comprehensive coverage of the topic with special emphasis on investigation of structure and properties of few organic bio-active molecules having anti-tubercular activities using several molecular modeling techniques. The key features of this book are: Focuses on quantum chemical calculations performed to determine the structure and reactivity of two of the most commonly used anti-tubercular drug molecules INH, PZA including MHI which is a novel natural analogue of INH. This book also gives a detailed insight into the mode of interaction of INH that involves binding of isoniazid-NAD adducts to the active site of Mycobacterium tuberculosis enoyl-ACP reductase (InhA) studied using docking and quantum mechanics/molecular mechanics (QM/MM) approaches. The book should be of help to the research students working in the field of drug designing especially using molecular modelling techniques.Books on Demand GmbH, Überseering 33, 22297 Hamburg 100 pp. Englisch. N° de réf. du vendeur 9783659909795

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