Synthesis, characterized, QSAR studies and molecular docking of some phosphonates as COVID-19 inhibitors

Khodayar Gholivand,Azam Barzegari,Fahimeh Mohammadpanah,Rouhollah Yaghoubi,Roohollah Roohzadeh,Ali Asghar Ebrahimi Valmoozi

Polyhedron（2022）

引用 5|浏览1

暂无评分

摘要

This paper consists of new mono, bis, and tetraphosphonate compounds that were selected against COVID-19 Mpro. Computational studies based on molecular docking, the quantitative structure–activity relationship (QSAR), and the pharmacophore studies were conducted to detailed study the inhibitory potency of compounds against COVID-19 Mpro and the factors influencing inhibitory potency.

查看译文

关键词

Phosphonate derivatives,Coronavirus inhibitors,Docking,DFT calculation,QSAR

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要