Modeling and 3D QSAR Study of TIBO Derivatives as Potent Reverse Transcriptase Inhibitors

Authors: Brij K Tiwari, Kapil Tiwari, Pramod K Saxena, Ashish Kumar

DOI: https://doi.org/10.17605/OSF.IO/J2F3S

Short DOI: https://doi.org/ggmpbg

Country: India

Full-text Research PDF File:   View   |   Download

Abstract: In the present work,a quantitative structure activity study has been performed a develop mathematical relationship between structural descriptor and biological activity log1/c (cytoctoxic concentration)of 19 TIBO derivatives with the help of Hyperchem7 software,ACD Chemsketch. Non-conventional physciochemical properties used in present study are calculating using Hyperchem7 software.All classical physicochemical descriptor are calculated using ACD Chemsketch software and the multiple regression analysis is carried out for obtaining QSAR model. The objective of the work is to obtain more information about the structural requirements underlying the cytotoxicity of inhibitors of NNRT-1.On the basis of the result obtained we model the compound having predictive potential.

Keywords: cytotoxicconcentration,NNRTI-1,physicochemical descriptors.

Paper Id: 442

Published On: 2018-12-03

Published In: Volume 6, Issue 6, November-December 2018

Share this