QSAR and pharmacophore modeling of indole-based C-3 pyridone compounds as HCV NS5B polymerase inhibitors utilizing computed molecular descriptors

Author:

Batra Ankita,Nandi Sisir,Bagchi Manish C.

Publisher

Springer Science and Business Media LLC

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics

Reference32 articles.

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2. Basak SC (2013) Mathematical descriptors in the prediction of property, bioactivity, and toxicity of chemicals from their structure: a chemical-cum-biochemical approach. Curr Comput Aided Drug Des 9(4):449–462

3. Basak SC, Grunwald GD, Niemi GJ (1997) In: Balaban AT (ed) From chemical topology to three-dimensional geometry. Plenum Press, New York, pp 73–116

4. Beaulieu PL (2007) Non-nucleoside inhibitors of the hcv ns5b polymerase: progress in the discovery and development of novel agents for the treatment of hcv infections. Curr Opin Invest Drugs 8:614–634

5. Chen KX, Vibulbhan B, Yang W, Sannigrahi M, Velazquez F, Chan T-Y, Venkatraman AGN, Zeng Q, Bennet F, Jiang Y, Lesburg CA, Duca J, Pinto P, Gavalas S, Huang Y, Wu W, Selyutin O, Agrawal S, Feld B, Huang H-C, Li C, Cheng K-C, Shih N-Y, Kozlowski JA, Rosenblum SB, Njoroge FG (2012) Structure–activity relationship (SAR) Development and discovery of potent indole-based inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase. J Med Chem 55:754–765

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