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Essentials of Drug Designing

V Kothekar

ISBN 10: 8182400074 / ISBN 13: 9788182400078
Published by Dhruv Pub, Delhi, 2005
Used Condition: As New Hardcover
From Vedams eBooks (P) Ltd (New Delhi, India)

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Contents I. General foundation 1. Strategies and historical developments. 2. Basic principle of drug design. 3. Drug receptor interaction. II. Molecular modeling techniques 4. Molecular structure generation. 5. Optimization of molecular geometries. 6. Quantum chemical methods. III. Analog based drug design 7. Developing and using QSAR. 8. 3D QSAR. IV. Target structure based or rational drug design 9. Protein structure. 10. De Novo ligand design. 11. 3D database searching in drug designing. Appendix list of docking software. The rational way to discover a new drug is to understand the disease mechanism and identify a target molecule mostly a protein and design an inhibitor or an activator for the same. Alternatively one can make a disease model and screen the compounds randomly for their action. But these high throughput screening methods need large manpower (200 300 research scientists) and time (10 12 years) which increases the cost of new drug production substantially. A systematic approach to drug designing on the other hand can take advantage of the developments in both the silicon world and the medicinal chemists approach. It can not only bring down the cost and man hours in the process but also enable us to transfer the fruits of the human genome project to mankind as many genes with therapeutic relevance are now identified. The main problem is the lack of trained manpower. This book is aimed at imparting necessary skills to a young graduate. It deals with the basics of drug discovery molecular modeling techniques energy based optimization using empirical and quantum chemical methods molecular mechanics dynamics Monte Carlo genetic algorithms use of old and new QSAR 3D QSAR methods such as comparative field analysis active site analysis receptor surface analysis homology based protein modeling de novo ligand design using growers and builders and 3D database searching using different docking procedures. It also gives enough theoretical inputs for developing your own software and a brief description of the available software. 297 pp. Bookseller Inventory # 55686

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Bibliographic Details

Title: Essentials of Drug Designing

Publisher: Dhruv Pub, Delhi

Publication Date: 2005

Binding: Hardbound

Book Condition:As New

Edition: New

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