Reporting dinaciclib and theodrenaline as a multitargeted inhibitor against SARS-CoV-2: an in-silico studyArticle Published on 2023-06-012023-07-08 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), [키워드] main protease molecular docking Molecular dynamics simulation NSP15-endoribonuclease papain-like protease. SARS-CoV-2 [DOI] 10.1080/07391102.2022.2060308 PMC 바로가기
Molecular dynamic simulations reveal anti-SARS-CoV-2 activity of mitocurcumin by potentially blocking innate immune evasion proteins NSP3 and NSP16Article Published on 2023-04-012023-07-09 Journal: Molecular diversity [Category] COVID19(2023년), [키워드] COVID-19 Mitocurcumin molecular docking nsp16 nsp3. [DOI] 10.1007/s11030-022-10443-3 PMC 바로가기
Systematic analysis on the mechanism of Zhizi-Bopi decoction against hepatitis B via network pharmacology and molecular dockingArticle Published on 2023-04-012023-06-12 Journal: Biotechnology letters [Category] B형 간염, [키워드] hepatitis B molecular docking network pharmacology Traditional Chinese medicine Zhizi-Bopi decoction. [DOI] 10.1007/s10529-023-03359-x PMC 바로가기
In silico and in vitro evaluation of imatinib as an inhibitor for SARS-CoV-2Article Published on 2023-04-012023-07-08 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), [키워드] ACE2 acute respiratory disease Bcr-Abl tyrosine kinase inhibitor Betacoronavirus COVID-19 Imatinib molecular docking SARS-CoV-2 surface structural spike glycoprotein. Wuhan [DOI] 10.1080/07391102.2022.2045221 PMC 바로가기
Designing of thiazolidinones against chicken pox, monkey pox, and hepatitis viruses: A computational approachArticle Published on 2023-04-012023-06-01 Journal: Computational biology and chemistry [Category] 두창, 수두, 홍역, [키워드] ADMET Chickenpox DFT molecular docking Monkey Pox Thiazolidinone. [DOI] 10.1016/j.compbiolchem.2023.107827 PMC 바로가기
Anti-viral drug discovery against monkeypox and smallpox infection by natural curcumin derivatives: A Computational drug design approachArticle Published on 2023-03-222023-06-10 Journal: Frontiers in Cellular and Infection Microbiology [Category] Fulltext, 원숭이두창, [키워드] ADMET Curcumin DFT molecular docking molecular dynamic simulation Monkeypox smallpox virus. [DOI] 10.3389/fcimb.2023.1157627 PMC 바로가기
Development of multi-epitope vaccines against the monkeypox virus based on envelope proteins using immunoinformatics approachesArticle Published on 2023-03-132023-06-09 Journal: Frontiers in Immunology [Category] Fulltext, 원숭이두창, [키워드] immunoinformatics molecular docking molecular dynamics (MD) simulation Monkeypox virus (MPXV) multi-epitope vaccine. [DOI] 10.3389/fimmu.2023.1112816 PMC 바로가기
Identification of probable inhibitors for the DNA polymerase of the Monkeypox virus through the virtual screening approachArticle Published on 2023-02-282023-06-09 Journal: International journal of biological macromolecules [Category] 원숭이두창, [키워드] DNA polymerase structure molecular docking Monkeypox virus structure-based screening virtual screening. [DOI] 10.1016/j.ijbiomac.2022.12.252 PMC 바로가기
Exploration of potential inhibitors for SARS-CoV-2 Mpro considering its mutants via structure-based drug design, molecular docking, MD simulations, MM/PBSA, and DFT calculationsArticle Published on 2023-02-012023-07-09 Journal: Biotechnology and applied biochemistry [Category] COVID19(2023년), [키워드] drug design MD simulation MM/PBSA molecular docking mutations. SARS-CoV-2 Mpro [DOI] 10.1002/bab.2369 PMC 바로가기
Modelling of Hepatitis E virus RNA-dependent RNA polymerase genotype 3 from a chronic patient and in silico interaction analysis by molecular docking with RibavirinArticle Published on 2023-02-012023-06-11 Journal: Journal of biomolecular structure & dynamics [Category] E형 간염, [키워드] hepatitis E virus Interaction molecular docking ribavirin RNA polymerase structure. [DOI] 10.1080/07391102.2021.2011416 PMC 바로가기