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A Quantitative Structure-Activity Relationship Study on a Indo-2-yl Derivatives as Anti-HCV agents | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X

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Abstract

A Quantitative Structure-Activity Relationship Study on a Indo-2-yl Derivatives as Anti-HCV agents

Author(s): Anjana Sharma, Satya Prakash Gupta, Anees Ahmed Siddiqui and Nitin Sharma

A quantitative structure-activity relationship (QSAR) study has been performed on some large series of (Indol-2- yl)phenyl/pyridine sulfonamides derivatives reported by Chen et al. [Bioorg Med Chem Lett(2013)] [9,10], acting as anti-hepatitis C virus (anti-HCV) agents. The activity of the compounds was found to be correlated significantly with density, surface tension and some indicator variables. The whole series containing 73 compounds was divided into two subsets: training set and test set containing 53 and 20 compounds, respectively. The validity of correlation has been judged by LOO (leave one out) method and predicting the activity of some test compounds. Using the correlation obtained, some new compounds having high potency have been predicted.


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