| Recommended Reading List |
1) F. J. Clarke, How Modern Medicines are Discovered, Futura Publishing Company, Mount Kisco, 1973.2) A. Burger, A Guide to the Chemical Basis of Drug Design, John Wiley & Sons, New York, 1983.3) W. Sneader, Drug Discovery: The Evolution of Modern Medicines, John Wiley & Sons, Chichester, 19854) E. Bäumler, Die großen Medikamente. Forscher und ihre Entdeckungen schenken uns Leben, Gustav Lübbe Verlag, Bergisch Gladbach, 1992.5) W. Sneader, Drug Prototypes and their exploitation, John Wiley & Sons, Chichester, 1996.6) H.-J. Böhm, G. Klebe and H. Kubinyi, Wirkstoffdesign, Spektrum Akademischer Verlag, Heidelberg, 1996.7) J. Ryan, A. Newman, and M. Jacobs, Editors, The Pharmaceutical Century. Ten Decades of Drug Discovery, Supplement to ACS Publications, American Chemical Society, Washington, 2000.8) R. Silverman, The Organic Chemistry of Drug Design and Drug Action, 2nd Edition, Elsevier Academic Press, Burlington, 2004.9) Computer-aided drug discovery / edited by Wei Zhang, ISBN 978-1-493-93519-2.10) Genetic algorithms in molecular modeling, Edited by:James Devillers ISBN: 978-0-12-213810-2 11) Computer-aided molecular design, Jean-Pierre Doucet and Jacques WeberISBN: 978-0-12-221285-712) The Science and Business of Drug Discovery, Edward D. Zanders, ISBN 978-1-4419-9901-613) In-Silico Lead Discovery, Editor(s): Maria A. Miteva, ISBN: 978-1-60805-679-814) Emerging Trends in Computing, Informatics, Systems Sciences, and Engineering, Editors; Tarek Sobh, Khaled Elleithy. 15) Frontiers in computational chemistry, Zaheer Ul-Haq and Jeffry D. Madura, Vol 1, 2ISBN: 978-1-60805-979-9. ISBN: 978-1-60805-865-5.Molecular Operating Environment (MOE) (One fully integrated drug discovery software package) by developed Chemical Computing Group (CCG) (www.chemcomp.com). *Molecular Operating Environment (MOE), 2018.01; Chemical Computing Group ULC, 1010 Sherbooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2019.- Schrodinger Training suites (https://www.schrodinger.com)Acknowledgement:-The lecturer and students would like to thank the CCG for allowing the software to use the teaching license because of the critical role of the MOE software package for educational aims.- They also acknowledged to Schrodinger for allowing their software for training purpose. |
| Catalog Content |
Computer methods in the Pharmaceutical and Medicinal Chemistry, it’s importance on drug design, ligand-based drug design: Traditional 2D QSAR, Pharmacophor Analyses, 3D QSAR ((CoMFA (Comparative Molecular Field Analysis), CoMSIA (Comparative Molecular Similarity Indices Analysis ) Methods), 4D, 5D and 6D-QSAR; (structural-based drug design), Molecular modelling, Docking and imaging, molecular mechanics and molecular dinamic methods, virtual screening, QSAR, docking methods, pharmacological modelling, Library design, High-throughput screening (HTS), de novo (symthetic) drug design, Computer-aided design of enzyme inhibitors as drug-targets. |
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