Structurally modified compounds of hydroxychloroquine, remdesivir and tetrahydrocannabinol against main protease of SARS-CoV-2, a possible hope for COVID-19: Docking and molecular dynamics simulation studies

Deepak Mishra,Radha Raman Maurya,Kamlesh Kumar,Nupur S. Munjal,Vijay Bahadur, Sandeep Sharma,Prashant Singh,Indra Bahadur

Journal of Molecular Liquids（2021）

引用 29|浏览7

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摘要

•HCQ and remdesivir for treatment of COVID-19 patients.•HCQ and remdesivir gave promising results to inhibit Mpro protein.•Two derivatives of these compounds showing excellent docking score.

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关键词

COVID-19,SARS-CoV-2,Hydroxychloroquine,Remdesivir,THC,Docking,MD simulation

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