Structure and Reactivity of few Anti-TB Drug Molecules

Kalyan Kr Hazarika

ISBN 10: 3659909793 / ISBN 13: 9783659909795

Editore: LAP LAMBERT Academic Publishing Jul 2016, 2016

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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.

Codice articolo 9783659909795

Dati bibliografici

• Titolo: Structure and Reactivity of few Anti-TB Drug Molecules
• Editore: LAP LAMBERT Academic Publishing Jul 2016
• Data di pubblicazione: 2016
• Lingua: Inglese
• ISBN 10: 3659909793
• ISBN 13: 9783659909795
• Rilegatura: Taschenbuch
• Condizione: Neu

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Riassunto

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.