Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes
Journal of Research in Pharmacy, cilt.25, sa.6, ss.1010-1017, 2021 (ESCI, Scopus, TRDizin)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 25 Sayı: 6
- Basım Tarihi: 2021
- Doi Numarası: 10.29228/jrp.96
- Dergi Adı: Journal of Research in Pharmacy
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus, TR DİZİN (ULAKBİM)
- Sayfa Sayıları: ss.1010-1017
- Anahtar Kelimeler: ADRP, Covid-19, Docking, Molecular dynamics, Nsp15, PLpro, SARS-CoV-2
- İstanbul Kent Üniversitesi Adresli: Hayır
Özet
In this study, molecular modelling study of previously synthesized compounds against SARS-CoV-2 target enzyme was performed. A subset of 156 compounds from an in-house database has been subjected to molecular modelling studies against the SARS-CoV-2 ADP-ribose phosphatase (ADRP, NSP3), Papain-like protease (PLpro ), and uridine specific endoribonuclease (NSP15) enzymes. We have identified one compound that is expected to inhibit the SARS-CoV-2 ADRP enzyme and one compound that is expected to inhibit the NSP15 enzyme.