Probing marine brown macroalgal phlorotannins as antiviral candidate against SARS-CoV-2: molecular docking and dynamics simulation approachArticle Published on 2022-12-012022-11-15 Journal: Molecular diversity [Category] [DOI] 10.1007/s11030-022-10383-y PMC 바로가기
Towards Covid-19 TMPRSS2 enzyme inhibitors and antimicrobial agents: Synthesis, antimicrobial potency, molecular docking, and drug-likeness prediction of thiadiazole-triazole hybridsResearch article Published on 2022-11-012022-10-05 Journal: Journal of Molecular Structure [Category] [DOI] 10.1016/j.molstruc.2022.133659 [Article Type] Research article
Network analysis for elucidating the mechanisms of Shenfu injection in preventing and treating COVID-19 combined with heart failureResearch article Published on 2022-09-012022-10-05 Journal: Computers in biology and medicine [Category] [DOI] 10.1016/j.compbiomed.2022.105845 [Article Type] Research article
Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessmentSARS-CoV-2에 대한 항 HIV 약물 및 식물성 플라보노이드 조합: 분자 도킹 시뮬레이션 기반 평가Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2021.1885495 PMC 바로가기 [Article Type] Article
Molecular modeling of potent novel sulfonamide derivatives as non-peptide small molecule anti-COVID 19 agents비펩타이드성 소분자 항-COVID 19 제제로서 강력한 신규 설폰아미드 유도체의 분자 모델링Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2021.1897043 PMC 바로가기 [Article Type] Article
Integrated bioinformatics-cheminformatics approach toward locating pseudo-potential antiviral marine alkaloids against SARS-CoV-2-MproSARS-CoV-2-Mpro에 대한 유사 잠재적 항바이러스 해양 알칼로이드를 찾기 위한 통합 생물정보학-화학정보학 접근Article Published on 2022-09-012022-09-11 Journal: Proteins [Category] [DOI] 10.1002/prot.26341 PMC 바로가기 [Article Type] Article
Bioactive potentiality of secondary metabolites from endophytic bacteria against SARS-COV-2: An in-silico approachSARS-COV-2에 대한 내생 세균의 2차 대사 산물의 생리 활성 가능성: In-silico 접근Article Published on 2022-08-042022-09-11 Journal: PLoS ONE [Category] [DOI] 10.1371/journal.pone.0269962 PMC 바로가기 [Article Type] Article
Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sitesSARS-CoV-2에 대한 라우로일 티미딘 유사체의 합성, 항균, 분자 도킹 및 분자 역학 연구: POM 연구 및 약전 부위 식별Article Published on 2022-08-012022-09-11 Journal: Bioorganic chemistry [Category] [DOI] 10.1016/j.bioorg.2022.105850 PMC 바로가기 [Article Type] Article
Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods철저한 구조 기반 가상 스크리닝, 분자 역학 시뮬레이션을 사용하여 B.1.617.2(델타), AY.1(델타 플러스) 및 C.37(람다) SARS-CoV-2 변이체에서 중요한 스파이크 돌연변이를 타겟팅하기 위한 전산 용도 변경 접근 방식 및 MM-PBSA 방법Article Published on 2022-08-012022-09-11 Journal: Computers in biology and medicine [Category] [DOI] 10.1016/j.compbiomed.2022.105709 PMC 바로가기 [Article Type] Article
Novel Galactopyranoside Esters: Synthesis, Mechanism, In Vitro Antimicrobial Evaluation and Molecular Docking Studies새로운 갈락토피라노사이드 에스테르: 합성, 메커니즘, 시험관 내 항균성 평가 및 분자 도킹 연구Article Published on 2022-06-272022-09-12 Journal: Molecules [Category] [DOI] 10.3390/molecules27134125 PMC 바로가기 [Article Type] Article