Screening, simulation, and optimization design of small molecule inhibitors of the SARS-CoV-2 spike glycoprotein.

Screening, simulation, and optimization design of small molecule inhibitors of the SARS-CoV-2 spike glycoprotein.

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) outbreak is a public health emergency of international concern. The spike glycoprotein (S protein) of SARS-CoV-2 is a key target of antiviral drugs. Focusing on the existing S protein structure, molecular docking was used in this study...

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Bibliographic Details
Main Authors: Chuancai Sun, Jian Zhang, Jiao Wei, Xiaoli Zheng, Xianyang Zhao, Zengjun Fang, Dongmei Xu, Huiqing Yuan, Yipeng Liu
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2021-01-01
Series:PLoS ONE
Online Access:https://doi.org/10.1371/journal.pone.0245975

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https://doi.org/10.1371/journal.pone.0245975

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