Marine drugs as putative inhibitors against non-structural proteins of SARS-CoV-2: an in silico studyOriginal Paper Published on 2023-05-122024-09-05 Journal: Journal of molecular modeling [Category] update2024, [키워드] ADMET properties binding free energy calculations molecular docking Molecular dynamics simulation studies non-structural proteins SARS-CoV-2 [DOI] 10.1007/s00894-023-05574-9 PMC 바로가기 [Article Type] Original Paper
Promising inhibitors against main protease of SARS CoV-2 from medicinal plants: In silico identificationArticle Published on 2021-12-302023-07-11 Journal: Acta pharmaceutica (Zagreb, Croatia) [Category] COVID19(2023년), [키워드] ADMET properties medicinal plants molecular docking SARS CoV-2 main protease inhibitors [DOI] 10.2478/acph-2022-0020
Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLproSARS-COV-2 MPRO 3CLPRO에 대한 천연 제품 기반 약물 설계Article Published on 2021-10-292022-08-31 Journal: International Journal of Molecular Sciences [Category] SARS, 신약개발, 치료제, [키워드] 3CLpro acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 ADMET properties affected analyzed Antiviral approach best can be used catalytic caused Combination complexes Compound coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 cysteine docking drug druggability drugs followed by histidine in vitro Interaction Ligand molecular dynamics Molecular dynamics simulation MPro natural natural products outbreak pharmacokinetic protease protocol public health residue respiratory SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 Mpro selected severe acute respiratory syndrome Coronavirus Spread the SARS-CoV-2 Treatment [DOI] 10.3390/ijms222111739 PMC 바로가기 [Article Type] Article