In silico analysis of phytochemicals as potential inhibitors of proteases involved in SARS-CoV-2 infectionArticle Published on 2022-07-012023-07-06 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, [키워드] Covid-19 main protease drug likeliness. SARS-CoV main peptidase SARS-CoV main proteinase TMPRSS2 [DOI] 10.1080/07391102.2020.1866669 PMC 바로가기
Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main ProteaseArticle Published on 2022-03-012022-10-30 Journal: Molecules [Category] COVID-19, MERS, SARS, [키워드] Artemisia commutata addition ADMET applied being binding binding energy carried co-crystallized complex conducted Covid-19 main protease DFT eight enzyme flavonoid in silico indicated Jusanin Ligand M pro metabolite molecular molecular docking Molecular docking study molecular dynamic simulations Molecular dynamics simulation molecular similarity New new flavonoid NMR PDB Potential Proteins SARS-CoV-2 SARS-CoV-2 main protease Seven similarity the SARS-CoV-2 Toxicity [DOI] 10.3390/molecules27051636 PMC 바로가기 [Article Type] Article
Medicinal plants with anti-SARS-CoV activity repurposing for treatment of COVID-19 infection: A systematic review and meta-analysisReview Published on 2021-12-302023-07-11 Journal: Acta pharmaceutica (Zagreb, Croatia) [Category] COVID19(2023년), [키워드] Covid-19 main protease inhibition medicinal plants Meta-analysis systematic review [DOI] 10.2478/acph-2022-0021 [Article Type] Review
In silico detection of inhibitor potential of Passiflora compounds against SARS-Cov-2(Covid-19) main protease by using molecular docking and dynamic analysesResearch article Published on 2021-09-012022-10-05 Journal: Journal of Molecular Structure [Category] 유전자 메커니즘, 치료기술, [키워드] ADME Analysis binding energy component Compound coronavirus COVID-19 Covid-19 main protease COVID-19 pandemic drug target drug-likeness effective feature Hydroxychloroquine inhibitor investigated Isoorientin Ligand ligands molecular molecular docking new strain Passiflora protease Saponarin shown specific treatment tested were used with COVID-19 Wuhan, China [DOI] 10.1016/j.molstruc.2021.130556 [Article Type] Research article
Recognition of Natural Products as Potential Inhibitors of COVID-19 Main Protease (Mpro): In-Silico EvidencesOriginal Article Published on 2020-06-172022-10-30 Journal: Natural Products and Bioprospecting [Category] COVID-19, [키워드] 2019-nCoV anti-viral activity Antiviral antiviral activity Candidates caused Compound coronavirus disease COVID-19 Covid-19 main protease docking docking study druggability evidenced exhibiting globe glycyrrhizin Herbal remedies hesperetin Host in silico molecular docking natural nCOV-2019 outcome overcome plant Potential product protease receptor Recognition reported SARS-CoV SARS-CoV-2 scientist selected The 2019-nCoV Treatment [DOI] 10.1007/s13659-020-00253-1 PMC 바로가기 [Article Type] Original Article