Insights on the interaction of SARS-CoV-2 variant B.1.617.2 with antibody CR3022 and analysis of antibody resistancearticle Published on 2023-03-202024-09-05 Journal: Journal of Genetic Engineering & Biotechnology [Category] update2024, [키워드] CR3022 Delta homology modelling molecular docking molecular dynamics SARS-CoV-2 [DOI] 10.1186/s43141-023-00492-y PMC 바로가기 [Article Type] article
In silico study to predict promiscuous T cell and B cell-epitopes derived from the vaccine candidate antigens of Plasmodium vivax binding to MHC class-II allelesArticle Published on 2022-06-302024-09-10 Journal: J Vector Borne Dis [Category] 말라리아, [키워드] DHFR-TS Epitopes HLA homology modelling immunodiagnostic malaria PPPK-DHPS Promiscuous peptides Subunit vaccine. PMC 바로가기
Tracking SARS-CoV-2 Spike Protein Mutations in the United States (January 2020—March 2021) Using a Statistical Learning Strategy통계 학습 전략을 사용하여 미국에서 SARS-COV-2 스파이크 단백질 돌연변이 추적 (2020 년 1 월-2021 년 3 월)Article Published on 2021-12-212022-09-10 Journal: Viruses [Category] SARS, 변종, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 alignment Analysis analyzed applied approach complementary coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 D1118H eight false discovery rate functional genomic Genomic surveillance GISAID highlight homology homology modelling identify identifying L452R learning MONITOR mutations proportion Protein protein sequence protein structure q-value reference strain residue respiratory SARS-CoV-2 sequence severe acute respiratory syndrome Coronavirus spatiotemporal spike Spike protein Spike protein sequence statistical statistical learning strain Strains Strategy Substitution supported Surveillance temporal dynamics the United State United States unsupervised learning variant variants variants of concern variants of interest Viral viral residue variant VOCs VOIs was performed [DOI] 10.3390/v14010009 PMC 바로가기 [Article Type] Article
SARS-CoV-2 entry inhibitors by dual targeting TMPRSS2 and ACE2: An in silico drug repurposing study이중 표적 TMPRSS2 및 ACE2에 의한 SARS-CoV-2 진입 억제제: 실리코 약물 용도 변경 연구Article Published on 2021-04-052022-09-11 Journal: European journal of pharmacology [Category] SARS, 신약개발, 치료제, [키워드] ACE2 Alvimopan Analysis angiotensin Antiviral approved drug arbekacin clinically coronavirus disease COVID-19 COVID-19 pandemic docked docking score docking scores docking tool droplets drug drug treatment drugs Efficacy entry inhibitors FDA-approved drugs fleroxacin help homology modelling Host Human human Angiotensin-converting enzyme Human angiotensin-converting enzyme 2 human population human populations in silico in vitro in vivo inhibitor Lopinavir molecular molecular docking molecular dynamics molecular dynamics simulations nasal outcomes repurposing SARS-CoV-2 SARS-CoV-2 entry selected Serine target targets the vaccine TMPRSS2 transmembrane serine protease transmembrane serine protease 2 Treatment US-FDA valrubicin [DOI] 10.1016/j.ejphar.2021.173922 PMC 바로가기 [Article Type] Article
Unravelling high-affinity binding compounds towards transmembrane protease serine 2 enzyme in treating SARS-CoV-2 infection using molecular modelling and docking studiesArticle Published on 2020-10-292023-07-02 Journal: European journal of pharmacology [Category] SARS, [키워드] COVID-19 Drug repurposing homology modelling molecular docking SARS-CoV-2 TMPRSS2 [DOI] 10.1016/j.ejphar.2020.173688 PMC 바로가기
Structural analysis of experimental drugs binding to the SARS-CoV-2 target TMPRSS2Article Published on 2020-08-112023-06-16 Journal: Journal of molecular graphics & modelling [Category] MERS, SARS, [키워드] drug design homology modelling Molecular modelling SARS-CoV-2 serine protease TMPRSS2 [DOI] 10.1016/j.jmgm.2020.107710 PMC 바로가기 [Article Type] Article
Human coronavirus OC43 3CL protease and the potential of ML188 as a broad-spectrum lead compound: Homology modelling and molecular dynamic studiesResearch Article Published on 2015-04-282022-10-28 Journal: BMC Structural Biology [Category] Coronavirus, [키워드] 3CL 3CL pro 3CLpro binding compounds coronavirus determine experimental validation generate homology homology model homology modelling Human human coronavirus human coronavirus OC43 inhibit inhibited inhibitor inhibitors inhibitory effect Ligand molecular molecular dynamics OC43 other coronaviruses predicted protease provide receptor respiratory Result SARS-CoV shown stability Support was used [DOI] 10.1186/s12900-015-0035-3 PMC 바로가기 [Article Type] Research Article