Plant-Based Phytochemical Screening by Targeting Main Protease of SARS-CoV-2 to Design Effective Potent Inhibitors

SIMPLE SUMMARY: Virtual screening schemes, including molecular docking in conjunction with molecular dynamics simulation, were accomplished, as they extend an ample opportunity to screen plausible inhibitors of the main protease from an extensive phytochemical library. The preferential phytochemical...

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Publicado en:Biology (Basel)
Main Authors: Mahmud, Shafi, Biswas, Suvro, Paul, Gobindo Kumar, Mita, Mohasana Akter, Promi, Maria Meha, Afrose, Shamima, Hasan, Md. Robiul, Zaman, Shahriar, Uddin, Md. Salah, Dhama, Kuldeep, Emran, Talha Bin, Saleh, Md. Abu, Simal-Gandara, Jesus
Formato: Artigo
Idioma:Inglês
Publicado: MDPI 2021
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Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC8301192/
https://ncbi.nlm.nih.gov/pubmed/34206970
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/biology10070589
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