SARS-CoV-2 3D database: understanding the coronavirus proteome and evaluating possible drug targetsSARS-CoV-2 3D 데이터베이스: 코로나바이러스 프로테옴 이해 및 가능한 약물 표적 평가Problem Solving Protocol Published on 2021-03-082022-09-10 Journal: Briefings in Bioinformatics [Category] SARS, 치료제, [키워드] 3D model 3D models 3D structure acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 binding characterized Computational approaches coronavirus Coverage database docking download Drug discovery drug target evaluate experimental structure focus high mortality human proteins Impact Infectious disease information Interaction International knowledge mapped Model mutations oligomers protein-ligand proteome proteome analysis provide respiratory SARS CoV-2 SARS-CoV-2 SARS-CoV-2 3D database SARS-CoV-2 drug targets SARS-CoV-2 genome sequence SARS-CoV-2 protein SARS-CoV-2 proteome modelling sequence severe acute respiratory syndrome Coronavirus Spread structures target targets the SARS-CoV-2 genome [DOI] 10.1093/bib/bbaa404 PMC 바로가기 [Article Type] Problem Solving Protocol
Oligomannose N -Glycans 3D Architecture and Its Response to the FcγRIIIa Structural LandscapeArticle Published on 2021-03-042022-10-29 Journal: The journal of physical chemistry. B [Category] Coronavirus, SARS, [키워드] 3D structure ADCC antibody-dependent cellular cytotoxicity architecture Arm binding affinity complex conformation conformational cumulative Effect experimental evidence FcγRIIIa feature form function glycan glycosylated glycosylation HIV-1 IgG1 Immune escape intrinsically involved landscape mammalian Man modulate molecular processed promote Protein receptor response SARS-CoV2 steric Structure Support vertebrates viruses yeast [DOI] 10.1021/acs.jpcb.1c00304 PMC 바로가기 [Article Type] Article
SARS-Cov2 S Protein Features Potential Estrogen Binding SitePreliminary Communications Published on 2021-03-012022-10-31 Journal: Food Technology and Biotechnology [Category] COVID-19, [키워드] 3D structure Affect appear approach average binding binding site compare protein conserved contribute coronavirus domain Epidemics estradiol Estrogen estrogen binding site estrogen receptor Fatality rate feature Hopefully immune response Infection involved membrane fusion men MERS notable pandemic Potential Proteins receptor reducing Result S protein SARS-CoV2 sequence severity similarity Site Surface glycoprotein Symptom the Coronaviridae the disease the S protein virus infectivity women [DOI] 10.17113/ftb.59.01.21.6820 PMC 바로가기 [Article Type] Preliminary Communications
On the Prevalence and Potential Functionality of an Intrinsic Disorder in the MERS-CoV ProteomeArticle Published on 2021-02-222022-10-28 Journal: Viruses [Category] Coronavirus, MERS, [키워드] 3D structure antibody approach binding caused complex contribute coronavirus disorder drug effective evaluate feature flexible function functional high mortality rate Host intrinsic intrinsically Intrinsically disordered proteins linear mechanism MERS-CoV MERS-CoV genome Middle East molecular MoRFs motifs organism Pathogenesis performed Potential Protein protein structure Proteins proteome regions severe respiratory illness SLiM Structural analysis Structure suggested syndrome Transmission Treatment Vaccine viral infection Viral protein virus [DOI] 10.3390/v13020339 PMC 바로가기 [Article Type] Article
Field-Template, QSAR, Ensemble Molecular Docking, and 3D-RISM Solvation Studies Expose Potential of FDA-Approved Marine Drugs as SARS-CoVID-2 Main Protease InhibitorsArticle Published on 2021-02-102022-10-30 Journal: Molecules [Category] COVID-19, [키워드] 3D structure acute respiratory syndrome antivirals biological activity cancer treatment Characteristics Clinical use complex Compound Computational study coronavirus country CoVID-2 main protease demonstrated drug drugs ensemble molecular docking Eribulin explain FDA-approved marine drugs field-template models High-resolution In vitro studies inhibit inhibitor Initially Interaction interaction site mesylate molecular feature pandemic Potential Prevent protease protease inhibitors reduce responsible SARS-CoV-2 SARS-CoV-2 main protease serine protease inhibitor shown Solvation target therapeutic drug Trabectedin treat virus replication water molecule WHO World Health Organization [DOI] 10.3390/molecules26040936 PMC 바로가기 [Article Type] Article
An in silico deep learning approach to multi-epitope vaccine design: a SARS-CoV-2 case studyArticle Published on 2021-02-052022-10-04 Journal: Scientific Reports [Category] MERS, 변종, [키워드] 3D structure accelerate antigenicity approach approaches B-cell epitopes candidate caused Clinical studies Computational platforms and environments Coverage CTL CTL epitope cytotoxic deaths deep learning disease effective Efficiency epitope Epitopes evaluated expression good quality helper HTL HTL epitopes identify immunoinformatics in silico In silico method Infectious disease linear B-cell epitopes machine learning Multi-epitope vaccine Mutation Peptide vaccines physicochemical property Plasmid predict predicted Protein design Protein function predictions RNA SARS-CoV-2 SARS-CoV-2 spike protein SARS-CoV-2 virus secondary structure sequence Spread spread of COVID-19 subunit the SARS-CoV-2 the vaccine therapy Toxicity Vaccine viral infection virus [DOI] 10.1038/s41598-021-81749-9 PMC 바로가기 [Article Type] Article
Insights on 3D Structures of Potential Drug-targeting Proteins of SARS-CoV-2: Application of Cavity Search and Molecular DockingSARS-CoV-2의 잠재적 약물 표적 단백질의 3D 구조에 대한 통찰력: Cavity Search 및 Molecular Docking의 적용Article Published on 2021-02-012022-09-11 Journal: Molecular informatics [Category] SARS, 신약개발, 치료법, 치료제, [키워드] 3D model 3D models 3D structure 3D Structures analyzed Antiviral compounds antiviral drug antiviral drugs application applied assist candidate caused Cavity Cavity Search characterized COVID-19 COVID-19 pandemic COVID19 develop disease drug drug design effective health problems insight Interaction Ligand Lopinavir LOPINAVIR AND RITONAVIR molecular molecular docking molecular docking studies Molecular docking study PDB pharmacological treatment Potential problem protease Protein protein structures public health Research Ritonavir SARS-CoV 2 SARS-CoV-2 Structure submitted target targets was used [DOI] 10.1002/minf.202000096 PMC 바로가기 [Article Type] Article
One Year of SARS-CoV-2: How Much Has the Virus Changed?Article Published on 2021-01-262022-10-28 Journal: Biology [Category] COVID-19, [키워드] 3D proteins 3D structure A222V accumulating acute respiratory syndrome Analysis anticipated caused coronavirus COVID-19 COVID-19 pandemic COVID-19 vaccine D614G Effect effective Europe exhibiting GISAID globe group highest identify Immune escape initiative L18F likelihood molecular analysis mutant Mutation mutation rate mutations nonsynonymous observé over P323L pandemic Protein Proteins proteome provide public health reported Research resource SARS-CoV-2 SARS-CoV-2 mutation SARS-CoV-2 protein SARS-CoV-2 proteins SARS-CoV-2 proteome sequence simple spike Spread Surveillance target the SARS-CoV-2 the SARS-CoV-2 virus the Spike therapy These data Vaccine Variability viral genome sequence Viral protein virus worldwide crisis Year [DOI] 10.3390/biology10020091 PMC 바로가기 [Article Type] Article
Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirusResearch Published on 2021-01-252022-10-30 Journal: Journal of Genetic Engineering & Biotechnology [Category] COVID-19, [키워드] 3D structure binding energy Cardiomyopathy Chloroquine clinical trial Compound COVID-19 COVID-19 infected patient crystal structure database derivative detrimental Dexamethasone disease docked drug Druglikeness drugs Favipiravir FIVE Gallic acid derivatives health emergency Hydroxychloroquine in silico in vitro study in vivo inhibitor Ivermectin liver lower binding energy molecular molecular docking Molecular docking study molecular interactions MPro New coronavirus non-structural protein non-structural proteins Novel coronavirus Nsp12 nsp13 nsp14 Nsp15 Nsp3 pandemic PDB phosphate Plasma Protein Binding Protein Proteins PubChem Remdesivir reported Result retrieved ribavirin SARS-CoV-2 selected Side effect small molecule small molecule inhibitor Support therapeutic compound Vaccine virus World Health Organization [DOI] 10.1186/s43141-021-00120-7 PMC 바로가기 [Article Type] Research
SARS-CoV-2 infection susceptibility influenced by ACE2 genetic polymorphisms: insights from Tehran Cardio-Metabolic Genetic StudyACE2 유전적 다형성의 영향을 받는 SARS-CoV-2 감염 감수성: 테헤란 심장 대사 유전 연구의 통찰력Article Published on 2021-01-152022-09-01 Journal: Scientific Reports [Category] 변종, 유전자 메커니즘, 진단, 치료기술, [키워드] 3D structure 3D Structures ACE2 ACE2 gene ACE2 variation affecting affinity bioinformatics cleavage contribute COVID-19 pandemic Critical disease severity docking drug drug response explain Factor Genetic genetic study Genetic variation Genetic variations genotyping INDEL individual insertion/deletion interactions investigated life Missense Molecular modelling notable nucleotide Participants Pathogenesis pathogenesis of COVID-19 pathway Pathways Personalized medicine protease Protein receptor reduce reported SARS-CoV-2 SARS-COV-2 infection Single nucleotide polymorphism single nucleotide polymorphisms SNP spike Spike protein susceptibility Tehran TMPRSS2 TMPRSS2 protease Vaccines variants Viral viral spike protein whole-genome sequencing [DOI] 10.1038/s41598-020-80325-x PMC 바로가기 [Article Type] Article