Dual inhibition of SARS-CoV-2 spike and main protease through a repurposed drug, rutinArticle Published on 2022-07-012023-07-06 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1864476 PMC 바로가기
Identification of potential SARS-CoV-2 M pro inhibitors integrating molecular docking and water thermodynamics분자 도킹과 물 열역학을 통합하는 잠재적인 SARS-CoV-2 M pro 억제제 식별Article Published on 2022-07-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1867642 PMC 바로가기 [Article Type] Article
Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease주요 프로테아제를 표적으로 하는 COVID-19에 대한 천연 약물의 다중 단계 In Silico 발견Article Published on 2022-06-212022-09-11 Journal: International Journal of Molecular Sciences [Category] [DOI] 10.3390/ijms23136912 PMC 바로가기 [Article Type] Article
Comprehensive fitness landscape of SARS-CoV-2 M pro reveals insights into viral resistance mechanismsSARS-CoV-2 M pro의 종합적인 피트니스 환경은 바이러스 저항 메커니즘에 대한 통찰력을 보여줍니다Article Published on 2022-06-202022-09-11 Journal: eLife [Category] [DOI] 10.7554/eLife.77433 PMC 바로가기 [Article Type] Article
Design, synthesis and docking study of Vortioxetine derivatives as a SARS-CoV-2 main protease inhibitorSARS-CoV-2 주요 프로테아제 억제제로서의 보티옥세틴 유도체의 설계, 합성 및 도킹 연구Article Published on 2022-06-012022-09-11 Journal: Daru : journal of Faculty of Pharmacy, Tehran Univ [Category] [DOI] 10.1007/s40199-022-00441-z PMC 바로가기 [Article Type] Article
Natural metabolites from the soft coral Nephthea sp. as potential SARS-CoV-2 main protease inhibitorsArticle Published on 2022-06-012023-07-06 Journal: Natural Product Research [Category] [DOI] 10.1080/14786419.2021.1925892 PMC 바로가기
New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approachSARS-CoV-2 주요 프로테아제의 촉매 메커니즘에 대한 새로운 통찰력: ONIOM QM/MM 접근법Article Published on 2022-06-012022-09-11 Journal: Molecular diversity [Category] [DOI] 10.1007/s11030-021-10259-7 PMC 바로가기 [Article Type] Article
Perspectives on the design and discovery of α-ketoamide inhibitors for the treatment of novel coronavirus: where do we stand and where do we go?Article Published on 2022-06-012023-07-08 Journal: Expert opinion on drug discovery [Category] [DOI] 10.1080/17460441.2022.2052847 PMC 바로가기
Repurposing the natural compounds as potential therapeutic agents for COVID-19 based on the molecular docking study of the main protease and the receptor-binding domain of spike protein주요 프로테아제 및 스파이크 단백질의 수용체 결합 도메인에 대한 분자 도킹 연구를 기반으로 천연 화합물을 COVID-19의 잠재적 치료제로 용도 변경Article Published on 2022-05-162022-09-11 Journal: Journal of molecular modeling [Category] [DOI] 10.1007/s00894-022-05138-3 PMC 바로가기 [Article Type] Article
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitorsArticle Published on 2022-05-012023-07-06 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1848636 PMC 바로가기