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Thiol-based chemical probes exhibit antiviral activity against SARS-CoV-2 via allosteric disulfide disruption in the spike glycoprotein.
Shi Y, Zeida A, Edwards CE, Mallory ML, Sastre S, Machado MR, Pickles RJ, Fu L, Liu K, Yang J, Baric RS, Boucher RC, Radi R, Carroll KS. Shi Y, et al. Proc Natl Acad Sci U S A. 2022 Feb 8;119(6):e2120419119. doi: 10.1073/pnas.2120419119. Proc Natl Acad Sci U S A. 2022. PMID: 35074895 Free PMC article.
Proteomics and reactive cysteine profiling link the antiviral activity to the reduction of key disulfides, specifically by disruption of the Cys379-Cys432 and Cys391-Cys525 pairs distal to the receptor binding motif in the receptor binding domain (RBD) of the spike glycopr …
Proteomics and reactive cysteine profiling link the antiviral activity to the reduction of key disulfides, specifically by disruption of the …
In-Silico Design of a Novel Tridecapeptide Targeting Spike Protein of SARS-CoV-2 Variants of Concern.
Rajpoot S, Solanki K, Kumar A, Zhang KYJ, Pullamsetti SS, Savai R, Faisal SM, Pan Q, Baig MS. Rajpoot S, et al. Int J Pept Res Ther. 2022;28(1):28. doi: 10.1007/s10989-021-10339-0. Epub 2021 Dec 13. Int J Pept Res Ther. 2022. PMID: 34924897 Free PMC article.
An in-silico approach was employed to design a therapeutic peptide inhibitor against the receptor-binding domain (RBD) of the spike (S) protein of SARS-CoV-2 and its variants (B.1.1.7, B.1.351, P.1, B.1.617.1, B.1.617.2 and B.1.617.3). The binding specificity and affinity …
An in-silico approach was employed to design a therapeutic peptide inhibitor against the receptor-binding domain (RBD) of the spike ( …
Identification of potential novel inhibitors against the SARS-CoV-2 spike protein: targeting RBD and ACE2 interaction.
Verma J, Rath PP, Gourinath S, Subbarao N. Verma J, et al. J Biomol Struct Dyn. 2025 Feb;43(2):1027-1037. doi: 10.1080/07391102.2023.2291161. Epub 2023 Dec 8. J Biomol Struct Dyn. 2025. PMID: 38063058
This study aims to identify inhibitors targeting the receptor binding domain (RBD) of the S protein using computational and experimental techniques. We carried out virtual screening of four datasets against the S-RBD. ...Hence, our study reports novel inhibitors aga …
This study aims to identify inhibitors targeting the receptor binding domain (RBD) of the S protein using computational and experimen …