CoV3D: a database of high resolution coronavirus protein structuresAcademicSubjects/SCI00010 Published on 2021-01-082022-10-31 Journal: Nucleic Acids Research [Category] COVID-19, [키워드] Analysis antibodies assist Clustering Community complexes conformations coronavirus protein Coronaviruses COVID-19 database effective vaccine Health molecular N-glycosylation neutralizing antibody other coronaviruses Polymorphisms provide receptors Research resource SARS-CoV-2 SARS-CoV-2 protein sequence variability Small molecules spike glycoprotein Structure structure-based design structures therapy Vaccine Vaccine design virus [DOI] 10.1093/nar/gkaa731 PMC 바로가기 [Article Type] AcademicSubjects/SCI00010
Elicitation of Potent Neutralizing Antibody Responses by Designed Protein Nanoparticle Vaccines for SARS-CoV-2SARS-CoV-2에 대해 설계된 단백질 나노입자 백신에 의한 강력한 중화 항체 반응의 유도Article Published on 2020-11-252022-09-12 Journal: Cell [Category] Fulltext, SARS, 비임상, 진단, [키워드] antibody Antibody Response Antigen cGMP clinical trial computational protein design convalescent displaying domain ectodomain effective effort elicit elicited Epitopes highlight human sera immunogen immunogenic induce lower dose mice mutations nanoparticle Neutralizing antibody response Neutralizing antibody titer non-overlapping epitope platform potent Protective protective antibody response Protein RBD RBDs Receptor-binding domain Respiratory disease response risk robust Safe SARS-CoV-2 SARS-CoV-2 pandemic SARS-CoV-2 spike SARS-CoV-2 vaccine SARS-CoV-2-RBD stability structure-based design susceptible the RBD the SARS-CoV-2 trimer utility Vaccine vaccine candidate vaccine for COVID-19 virus wall [DOI] 10.1016/j.cell.2020.10.043 PMC 바로가기 [Article Type] Article
Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular ProbesArticle Published on 2020-10-122023-06-18 Journal: Cell Reports [Category] MERS, [키워드] antibody biotinylated probe Coronavirus disease 2019 COVID-19 HRV3C protease human rhinovirus 3C single-chain Fc structure-based design [DOI] 10.1016/j.celrep.2020.108322 PMC 바로가기 [Article Type] Article
Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitorsARTICLES Published on 2020-09-212022-10-30 Journal: The Journal of Chemical Physics [Category] COVID-19, SARS, [키워드] acute respiratory syndrome antiviral drug antiviral inhibitor assessment assist calculated catalytic caused computation conformational coronavirus CoV cysteine cysteine protease drug target Evidence flexible GPU Hypothesis inhibitor lack MERS coronavirus MERS-CoV Middle East modulate molecular Outbreaks pandemic Papain-like protease physiological plasticity PLPro Prevent protonation state residue respiratory syndrome coronavirus SARS-CoV SARS-CoV-2 Simulation starting point structure-based design Support supported viral life cycle [DOI] 10.1063/5.0020458 PMC 바로가기 [Article Type] ARTICLES
Computational Alanine Scanning and Structural Analysis of the SARS-CoV-2 Spike Protein/Angiotensin-Converting Enzyme 2 ComplexArticle Published on 2020-08-242022-10-27 Journal: ACS Nano [Category] COVID-19, [키워드] ACE2 ACE2 receptor acute respiratory syndrome allelic variant angiotensin-converting enzyme 2 Blood cellular receptor computational alanine-scanning mutagenesis contributing to coronavirus coronavirus disease COVID-19 COVID-19 patient Critical D38 determinant domain effective etiological agent free energy of binding global pandemic global public health glycoprotein homeostasis Host in silico inhibitor Interaction K31 K353 molecular mechanics/Poisson−Boltzmann surface area molecular molecular dynamics Neutralizing antibodies New coronavirus pathogen provide Q498 Quantitative R403 Receptor-binding domain residue S-protein SARS-CoV-2 SARS-CoV-2 host cell SARS-CoV-2 spike protein scanning spike stability structure-based design T500 the binding affinity the receptor-binding domain the SARS-CoV-2 transmembrane spike Vaccines Vascular Viral protein Volume [DOI] 10.1021/acsnano.0c04674 PMC 바로가기 [Article Type] Article
Computational Alanine Scanning and Structural Analysis of the SARS-CoV-2 Spike Protein/Angiotensin-Converting Enzyme 2 ComplexArticle Published on 2020-08-242022-10-27 Journal: ACS Nano [Category] Coronavirus, COVID-19, MERS, SARS, [키워드] ACE2 ACE2 receptor acute respiratory syndrome allelic variant angiotensin-converting enzyme 2 Blood cellular receptor computational alanine-scanning mutagenesis contributing to coronavirus coronavirus disease COVID-19 COVID-19 patient Critical D38 determinant domain effective etiological agent free energy of binding global pandemic global public health glycoprotein homeostasis Host in silico inhibitor Interaction K31 K353 molecular mechanics/Poisson−Boltzmann surface area molecular molecular dynamics Neutralizing antibodies New coronavirus pathogen provide Q498 Quantitative R403 Receptor-binding domain residue S-protein SARS-CoV-2 SARS-CoV-2 host cell SARS-CoV-2 spike protein scanning spike stability structure-based design T500 the binding affinity the receptor-binding domain the SARS-CoV-2 transmembrane spike Vaccines Vascular Viral protein Volume [DOI] 10.1021/acsnano.0c04674 PMC 바로가기 [Article Type] Article
Structure-Based Drug Design of an Inhibitor of the SARS-CoV-2 (COVID-19) Main Protease Using Free Software: A Tutorial for Students and Scientistspreprint Published on 2020-08-122022-10-31 Journal: ChemRxiv [Category] COVID-19, [키워드] AutoDock coronavirus COVID-19 disseminate drug drug candidate drug design experimental validation Free help homologous information inhibitor Interaction M pro modify molecular docking pandemic Pandemics peptide Peptide inhibitor protease provide SARS Coronavirus SARS-CoV SARS-CoV M SARS-CoV-2 scientist structure-based design structures student supplementary material the SARS-CoV-2 tutorial UCSF Chimera X-ray X-ray crystallographic structure [DOI] 10.26434/chemrxiv.12791954 PMC 바로가기 [Article Type] preprint
Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M pro )Article Published on 2020-06-292022-10-29 Journal: Microorganisms [Category] COVID-19, [키워드] acute respiratory syndrome anti-SARS-CoV-2 applied binding affinity binding free energy binding mode calculate complexes Compound compounds coronavirus COVID-19 disease docking drug candidates experiment filtered Final inhibitor Interaction M pro MPro MDs microbial microbial natural products molecular molecular dynamic simulation natural performed Potential product protease provide SARS-CoV-2 structural flexibility structure-based design table Virtual screening [DOI] 10.3390/microorganisms8070970 PMC 바로가기 [Article Type] Article