Ontology highlight
ABSTRACT:
SUBMITTER: Chowdhury SM
PROVIDER: S-EPMC7605242 | biostudies-literature | 2020 Nov
REPOSITORIES: biostudies-literature
Chowdhury Surid Mohammad SM Talukder Shafi Ahmad SA Khan Akib Mahmud AM Afrin Nadia N Ali Md Ackas MA Islam Rajib R Parves Rimon R Al Mamun Abdulla A Sufian Md Abu MA Hossain Md Nayeem MN Hossain Mohammed Akhter MA Halim Mohammad A MA
The journal of physical chemistry. B 20201023 44
Over 50 peptides, which were known to inhibit SARS-CoV-1, were computationally screened against the receptor-binding domain (RBD) of the spike protein of SARS-CoV-2. Based on the binding affinity and interaction, 15 peptides were selected, which showed higher affinity compared to the α-helix of the human ACE2 receptor. Molecular dynamics simulation demonstrated that two peptides, S2P25 and S2P26, were the most promising candidates, which could potentially block the entry of SARS-CoV-2. Tyr489 an ...[more]