Qspr Modelling of Anti-viral Drugs Through Topological Descriptors

Author:

Sivakumar B.1,Rajkumar V.2

Affiliation:

1. SSN College of Engineering, Rajiv Gandhi Salai (OMR)

2. Rajalakshmi Engineering College

Abstract

Abstract Quantitative Structure property relationship for the anti-viral drugs: Remdesivir, Favipiravir, Ribavirin, Lopinavir, Ritonavir, Darunavir, Oseltamivir and Umifenovir through degree based topological descriptors are presented. This QSPR study provides the mathematical relationship between the phsyico-chemical properties and different topological descriptors. This study conducted a comprehensive analysis of the data derived from the various topological descriptors of antiviral drugs using a range of statistical parameters. It is further demonstrated that these topological descriptors are closely related to the physicochemical characteristics of the above-mentioned antiviral drugs. The statistical analysis may be useful to the pharmaceutical industry in predicting the properties of antiviral drugs without conducting experiments.

Publisher

Research Square Platform LLC

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