Title : Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches.

Pub. Date : 2022 Apr

PMID : 33183178






2 Functional Relationships(s)
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1 In this study, an antiviral drug- Remdesivir (RdRp inhibitor) and Darunavir (Mpro inhibitor) are used as reference drugs. Darunavir NEWENTRY Severe acute respiratory syndrome-related coronavirus
2 Besides, to assess the stability, MD simulations studies were performed along with reference inhibitors for Mpro (Darunavir) and RdRp (Remdesivir). Darunavir NEWENTRY Severe acute respiratory syndrome-related coronavirus