Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like proteaseSARS-CoV-2 파파인 유사 프로테아제의 알로스테릭 부위에서 복합체 내 천연 페놀 화합물의 항바이러스 활성Article Published on 2022-08-112022-09-11 Journal: Communications Biology [Category] SARS, 변종, 신약개발, 치료제, [키워드] antiviral activity antiviral immune response cleavage complex Compound Concentration coronavirus COVID-19 infections cysteine Cytopathic effect down-regulated functions Host immune responses inhibited innate immune responses ISG15 molecular interaction Mutation natural phenolic compound Papain Papain-like protease PLPro protease Protein SARS-CoV-2 Support ubiquitin variants of SARS-CoV-2 Vero Cell Vital function X-ray [DOI] 10.1038/s42003-022-03737-7 PMC 바로가기 [Article Type] Article
Analysis of the docking property of host variants of hACE2 for SARS-CoV-2 in a large cohort대규모 코호트에서 SARS-CoV-2에 대한 hACE2의 숙주 변이체의 도킹 특성 분석Article Published on 2022-07-112022-09-11 Journal: PLoS Computational Biology [Category] COVID19(2023년), SARS, 변종, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 analyzed angiotensin binding free energy caused coronavirus coronavirus disease COVID-19 COVID-19 infection Diagnosis docking free energy genetic diversity genomic data global health hACE2 Health Host human Angiotensin-converting enzyme Human angiotensin-converting enzyme 2 human cells individual individuals Interaction large cohort missense variant Mobility molecular molecular dynamics Molecular dynamics simulation molecular interaction Novel coronavirus novel coronavirus disease outbreak physical provided receptor SARS-CoV-2 SARS-CoV-2 entry SARS-CoV-2 infections selected severe acute respiratory syndrome Coronavirus Spike protein subject the spike protein UK biobank variant [DOI] 10.1371/journal.pcbi.1009834 PMC 바로가기 [Article Type] Article
Biodistribution and Cellular Internalization of Inactivated SARS-CoV-2 in Wild-Type Mice야생형 마우스에서 비활성화된 SARS-CoV-2의 생체분포 및 세포 내재화Article Published on 2022-07-092022-09-11 Journal: International Journal of Molecular Sciences [Category] COVID19(2023년), SARS, 치료기술, [키워드] ACE2 ACE2 receptors administration analyzed angiotensin attachment Brain can not caveolin cell entry receptor cell line cellular cellular uptake clathrin Consensus conserved expression heart help heparan sulfate heparan sulfate proteoglycans heparin human Angiotensin-converting enzyme Human angiotensin-converting enzyme 2 in vitro in vivo inactivated infected with SARS-CoV-2 Inflammation internalization intravenous Intravenous administration mammalian mice molecular interaction motif mouse Muridae murine organ Proteoglycan raised reported SARS-CoV-2 SARS-CoV-2 particle SARS-CoV-2 receptors Spike protein sulfate syndecan syndecan-4 syndecans syndecans. tissue TNF-α transmembrane various tissues wild-type [DOI] 10.3390/ijms23147609 PMC 바로가기 [Article Type] Article
Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead candidates against SARS-Cov2-Envelope protein: A molecular dynamics investigationSARS-Cov2-Envelope 단백질에 대한 주요 후보로 우르소데옥시콜레이트 및 케노데옥시콜레이트의 가상 용도 변경: 분자 역학 조사Article Published on 2022-07-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, [키워드] absence affected Analysis binding blind candidate caused CDC channel Chenodeoxycholate Comparative complexes computational method Contact COVID-19 disrupting docking DPPC drug Drug repurposing envelope protein evaluate facilitated followed by functional generate group H-bonding H-bonds homologue homology hydrophobic inhibitor membrane molecular molecular docking molecular dynamics Molecular dynamics simulation molecular dynamics simulations molecular interaction monomeric observation polar profile residue SARS-Cov2-E sequence identity Structural properties structural property survival trajectory transmembrane region ursodeoxycholate ursodeoxycholate. viral cell was used water water molecule water molecules [DOI] 10.1080/07391102.2020.1868339 PMC 바로가기 [Article Type] Article
Impact of B.1.617 and RBD SARS-CoV-2 variants on vaccine efficacy: An in-silico approachB.1.617 및 RBD SARS-CoV-2 변이체가 백신 효능에 미치는 영향: In-silico 접근Article Published on 2022-07-012022-09-11 Journal: Indian journal of medical microbiology [Category] COVID19(2023년), MERS, SARS, 변종, 진단, [키워드] ACE2 affecting angiotensin antibody Antibody neutralization approach B.1.617 binding affinity conformational COVID-19 vaccine COVID-19 vaccines CR3022 determine docking docking analysis effective Enzymes Factor genomic Genomic surveillance greater higher affinity Immune escape Impact IMPROVE in silico in-silico India Infection Interaction less majority management MD simulation molecular molecular dynamics molecular interaction neutralization performed RBD RBD region RBD variant RBD variants receptor Replication responsible SARS-CoV-2 SARS-CoV-2 strain SARS-CoV-2 variant second wave Seven Spike protein stability Surveillance the disease the RBD the spike protein Transmissibility Vaccine vaccine efficacy variant variants virulence wild type wild-type strain Wuhan Wuhan, China [DOI] 10.1016/j.ijmmb.2022.03.009 PMC 바로가기 [Article Type] Article
Identification of phytocompounds as newer antiviral drugs against COVID-19 through molecular docking and simulation based study분자 도킹 및 시뮬레이션 기반 연구를 통한 COVID-19에 대한 새로운 항바이러스 약물로서의 식물 화합물 식별Article Published on 2022-07-012022-09-11 Journal: Journal of molecular graphics & modelling [Category] 변종, 치료제, [키워드] ADMET analysis Analysis antiviral activity antiviral drug antiviral drugs binding affinity complex conformational contagious COVID-19 docking docking score flexibility free energy free energy landscape identification in silico molecular docking molecular dynamic simulation molecular interaction pandemic Phytocompounds. promoted protease reflected screened selected Spike protein stability target protein target proteins variant Variation Viral protein Viral proteins Virtual screening virus was performed was used [DOI] 10.1016/j.jmgm.2022.108192 PMC 바로가기 [Article Type] Article
Inhibitory mechanism of Ambroxol and Bromhexine Hydrochlorides as potent blockers of molecular interaction between SARS-CoV-2 spike protein and human angiotensin-converting Enzyme-2Article Published on 2022-07-012023-07-09 Journal: Journal of molecular graphics & modelling [Category] COVID19(2023년), [키워드] Ambroxol hydrochlorides Bromhexine hydrochlorides Computational techniques hACE-2 molecular interaction SARS-CoV-2 [DOI] 10.1016/j.jmgm.2022.108201 PMC 바로가기
Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approachSARS-CoV-2에 대한 가능한 천연 억제제로서의 Rhus succedanea의 비플라보노이드: 분자 도킹 및 분자 역학 접근Article Published on 2022-07-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 치료제, [키워드] affinity Antiviral antiviral activity approach Biflavonoid biflavonoids binding affinities binding affinity binding mode binding modes binding site Bioflavonoid catalytic catalytic site complexes Compound conformational coronavirus COVID-19 drug Drug development drugs effective vaccine Effective vaccines enzyme fluctuations highlight human population hydrophilic hydrophobic in viral in vitro in vivo inhibitor initial Interaction less molecular molecular docking molecular dynamic simulation molecular dynamic simulations molecular dynamics Molecular dynamics simulation molecular interaction MPro Mpro protein outbreak Panic protease provide Replication reported researcher residues Rhus Rhus succedanea RNA viruses Safe SARS-CoV-2 SARS-CoV-2 Mpro therapeutic threat unavailability viral replication virus worldwide pandemic [DOI] 10.1080/07391102.2020.1858165 PMC 바로가기 [Article Type] Article
CROMATIC: Cro ss-Relationship Ma p of Cavi ti es from C oronavirusesCHROMATIC: 코로나바이러스의 Cavi 시간 교차 관계 지도Article Published on 2022-06-272022-09-11 Journal: Journal of Chemical Information and Modeling [Category] COVID19(2023년), SARS, 변종, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus alterations Analysis conserved coronavirus COVID-19 disease database drug candidates effective etiologic agent help high resolution highlighting identify Interaction MERS MERS-CoV molecular interaction Mutation performed Protein protocols Repository SARS-CoV SARS-CoV-2 SARS-CoV-2 spike variants Scientific community sequence severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 similarity starting point Structure structures therapy Virtual screening X-ray [DOI] 10.1021/acs.jcim.2c00169 PMC 바로가기 [Article Type] Article
Targeting of Glycosaminoglycans in Genetic and Inflammatory Airway Disease유전 및 염증성 기도 질환에서 글리코사미노글리칸의 표적화Review Published on 2022-06-082022-09-12 Journal: International Journal of Molecular Sciences [Category] MERS, 진단, [키워드] addition airway alveolar epithelium Asthma Cell cell differentiation chronic obstructive chronic obstructive pulmonary disease contribute COVID-19 COVID-19 pandemic cystic fibrosis described Diseases ECM Endothelium Extracellular matrix fibrosis glycosaminoglycan glycosaminoglycans Immune cell infiltration Inflammation Inflammatory Interaction interstitial involved lung Migration molecular interaction pathology pathophysiological role pulmonary disease receptor Research Respiratory disease targeting therapeutic agents tissue wound healing [DOI] 10.3390/ijms23126400 PMC 바로가기 [Article Type] Review