Identification of SARS-CoV-2 surface therapeutic targets and drugs using molecular modeling methods for inhibition of the virus entry

Sadegh Farhadian,Ehsan Heidari-Soureshjani,Fatemeh Hashemi-Shahraki,Ali Hasanpour-Dehkordi,Vladimir N Uversky,Majid Shirani,Behzad Shareghi,Mehraban Sadeghi,Esmaeil Pirali,Saeid Hadi-Alijanvand

Journal of Molecular Structure（2022）

引用 12|浏览8

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摘要

•Identification of the SARS-CoV-2 surface therapeutic targets.•cefpiramide has the highest affinity to S protein.•cefpiramide revealing its potential to become an anti-COVID-19 M.

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关键词

Coronavirus,SARS-CoV-2,COVID-19,Spike protein,Cefpiramide,Conivaptan,Inhibitor,Molecular dynamic simulation

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