English

Quantitative Structure Property Analysis of Anti-Covid-19 Drugs

Biomolecules 2020-08-18 v1

Abstract

Inspired by recent work on anti-covid-19 drugs \cite{2} here we study the Quantitative-structure property relationships(QSPR) of phytochemicals screened against SARS-CoV-2 3CLpro3CL^{pro} with the help of topological indices like the first Zagreb index M1M_{1}, second Zagreb index M2M_{2}, Randicˊ\acute{c} index RR, Balban index JJ and sum-connectivity index SCI(G)SCI(G). Our study has raveled that the sum-connectivity index (SCI)(SCI) and the first Zagreb index (M1)(M_{1}) are two important parameters to predict the molecular weight and the topological polar surface area of phytochemicals respectively.

Keywords

Cite

@article{arxiv.2008.07350,
  title  = {Quantitative Structure Property Analysis of Anti-Covid-19 Drugs},
  author = {Sunilkumar M. Hosamani},
  journal= {arXiv preprint arXiv:2008.07350},
  year   = {2020}
}