Articles liés à Structure and Reactivity of few Anti-TB Drug Molecules:...

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

Hazarika, Kalyan Kr

 
9783659909795: Structure and Reactivity of few Anti-TB Drug Molecules: A Density Functional Theory Approach
Couverture souple
ISBN 10 : 3659909793 ISBN 13 : 9783659909795
Editeur : LAP LAMBERT Academic Publishing, 2016

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.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2016
Langue
anglais
ISBN 10 
3659909793
ISBN 13 
9783659909795
Reliure
Broché
Nombre de pages
100
Coordonnées du fabricant
non disponible
Personne responsable
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