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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Veröffentlicht in:Biology (Basel)
Hauptverfasser: 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
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI 2021
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Article
Online Zugang: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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