QSAR study of C allosteric binding site of HCV NS5B polymerase inhibitors by support vector machine

Author:

Pourbasheer Eslam,Riahi Siavash,Ganjali Mohammad Reza,Norouzi Parviz

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Reference48 articles.

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2. Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AYM, Orlowski M, Feld B, O’Connell J, Mansour TS (2006) Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site. J Med Chem 49: 3052–3055. doi: 10.1021/jm060168g

3. Frick DN (2004) The hepatitis C virus replicase: insights into RNA-dependent RNA replication and prospects for rational drug design. Curr Org Chem 8: 223–241. doi: 10.2174/1385272043485963

4. Zhou Y, Webber SE, Murphy DE, Li L-S, Dragovich PS, Tran CV, Sun Z, Ruebsam F, Shah AM, Tsan M, Showalter RE, Patel R, Li B, Zhao Q, Han Q, Hermann T, Kissinger CR, LeBrun L, Sergeeva MV, Kirkovsky L (2008) Novel HCV NS5B polymerase inhibitors derived from 4-(1′,1′-dioxo-1′,4′-dihydro-1′λ6-benzo[1′,2′,4′]thiadiazin-3′-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1. Exploration of 7′-substitution of benzothiadiazine. Bioorg Med Chem Lett 18: 1413–1418. doi: 10.1016/j.bmcl.2008.01.007

5. Zhou Y, Li L-S, Dragovich PS, Murphy DE, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Averill A, Showalter RE, Patel R, Han Q, Zhao Q, Hermann T, Kissinger CR, LeBrun L, Sergeeva MV (2008) Novel HCV NS5B polymerase inhibitors derived from 4-(1′,1′-dioxo-1′,4′-dihydro-1′ λ6-benzo[1′,2′,4′]thiadiazin-3′-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 2. Variation of the 2- and 6-pyridazinone substituents. Bioorg Med Chem Lett 18: 1419–1424. doi: 10.1016/j.bmcl.2008.01.005

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