Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease가상 현실의 대화형 분자 역학은 SARS-CoV-2 메인 프로테아제에 대한 유연한 기질 및 억제제 도킹을 위한 효과적인 도구입니다Article Published on 2020-12-282022-09-11 Journal: Journal of Chemical Information and Modeling [Category] SARS, 변종, 신약개발, 치료제, [키워드] approach backbone binding interactions build Community complexes COVID-19 creating crystal structure crystal structures crystallographic structure demonstrated docked docking Drug development Dynamics effective effort enzyme flexibility flexible focus hydrogen hydrogen bonds inhibitor MD simulation MD simulations Metrics molecular molecular dynamics MPro oligopeptide open physically PLOS protease Protein protein complex protein complexes Protein target protocol provide REALITY recommendation Research RMSD SARS-CoV-2 virus small molecule small molecule drug small molecule drugs software framework Structure structures substrate targets tested the SARS-CoV-2 the SARS-CoV-2 virus user Viral virtual reality [DOI] 10.1021/acs.jcim.0c01030 PMC 바로가기 [Article Type] Article
A Computational Approach to Explore the Interaction of Semisynthetic Nitrogenous Heterocyclic Compounds with the SARS-CoV-2 Main Protease반합성 질소 헤테로고리 화합물과 SARS-CoV-2 주요 프로테아제의 상호 작용을 탐색하기 위한 전산 접근 방식Article Published on 2020-12-272022-09-10 Journal: Biomolecules [Category] Coronavirus, MERS, SARS, 치료제, [키워드] active site antiviral agent Antiviral agents antiviral molecule antiviral molecules approach causative agent Compound coronavirus disease Coronavirus disease 2019 COVID-19 derivative docking estimate estimates flexible focus heterocyclic compounds Interaction library M pro main protease molecular docking molecular docking simulation molecules Nitrogenous pandemic physostigmine precursor protease receptor SARS-CoV-2 selected semisynthetic compounds suggested target protein the SARS-CoV-2 thresholds validation [DOI] 10.3390/biom11010018 PMC 바로가기 [Article Type] Article
Obstacles and Considerations Related to Clinical Trial Research During the COVID-19 PandemicMedicine Published on 2020-12-232022-10-31 Journal: Frontiers in Medicine [Category] COVID-19, [키워드] affecting approvals arising article Cancer catastrophic caused clinical Clinical research clinical trial Clinical trial design clinical trials Community compassionate use Confusion control groups COVID-19 COVID-19 crisis COVID-19 pandemic Data analysis data integrity Diseases effective Efficiency effort endpoints ethical concern Ethics Factor faster feasibility flexible fraction Health help include information maintain media medications misinformation multicenter trials obstacle off-label pandemic press Prospective clinical trial raised randomization released releases remote monitoring Research SARS-CoV-2 Scientific community subject Treatment Trial urgency virus [DOI] 10.3389/fmed.2020.598038 PMC 바로가기 [Article Type] Medicine
Designing of a next generation multiepitope based vaccine (MEV) against SARS-COV-2: Immunoinformatics and in silico approachesSARS-COV-2에 대한 차세대 멀티에피토프 기반 백신(MEV) 설계: 면역정보학 및 인실리코 접근법Research Article Published on 2020-12-222022-08-13 Journal: PLoS ONE [Category] Biochemistry, COVID-19, MERS, SARS, [키워드] adjuvant Amino acid amino acids analyses antigenic antigenic proteins approach B-cell binding affinity caused conducted coronavirus coronavirus disease Coronavirus disease 2019 Coverage COVID-19 demonstrated effective epitope Epitopes Escherichia coli Escherichia coli K-12 system flexible followed by global health security highly antigenic HLA-binding allele HLA-binding alleles human pathogenic toll-like receptors immunogenic profile in silico In silico cloning increased expression indicated K-12 linker MEV MEV codon MEV codons MEV construct MHC class MHC class I MHC class II epitopes molecular molecular docking molecular dynamics multiepitope based vaccine non-allergenic overlapping pandemic pathogenic predicted Protein respiratory Respiratory Coronavirus selected Selected epitopes severe acute respiratory coronavirus significant interaction T-cell target targets Till TLR TLR3 TLR8 Toll-like receptor Vaccine vaccine against SARS-COV-2 vaccine production [DOI] 10.1371/journal.pone.0244176 PMC 바로가기 [Article Type] Research Article
Two-year outcomes of the treat-and-extend regimen using aflibercept for treating diabetic macular oedemaArticle Published on 2020-12-162022-10-04 Journal: Scientific Reports [Category] 바이오마커, [키워드] analysed baseline changes clinical trial comparable Diabetic Diseases dosing regimens Efficacy eye FIVE fixed flexible Health care injection Injections intravitreal injection Medical research multicentre oedema outcome Patient patients reduced regimen severity single-arm visual acuity visual impairment was performed [DOI] 10.1038/s41598-020-78954-3 PMC 바로가기 [Article Type] Article
Culture-free genome-wide locus sequence typing (GLST) provides new perspectives on Trypanosoma cruzi dispersal and infection complexity무배양 게놈 전체 유전자좌 서열 유형 지정(GLST)은 트리파노소마 크루지 분산 및 감염 복잡성에 대한 새로운 관점을 제공합니다.Research Article Published on 2020-12-162022-09-06 Journal: PLoS Genetics [Category] Communicable Disease, [키워드] agarose gel alternate allele frequency amplification amplify analyzed approach biases capture capture method Cell Chagas disease Chain Reaction city clone Co-infection collected Complete complex correlation correlations Culture detect dispersal distribution DNA Ecuador epidemiological epidemiological surveillance evaluate Ex vivo flexible frequency distributions generate Genetic Genetic polymorphism Genetic variation Genome genomes genotyping hotspot identify infecting Infection infection source Infectious disease Infectious diseases information intestinal involved library limitation lineages locus marker metagenomic minimum parasite parasites pathogen Pathogenic microorganisms Perspective polymerase chain polymerase chain reaction polymerase chain reactions polymorphism powerful tool primer principle provide purification representing Research Result sequence Sequencing single-nucleotide Single-nucleotide polymorphisms SNP Spectrum Strains subsequent subset Surveillance target target pathogen Trypanosoma Trypanosoma cruzi vector Venezuela [DOI] 10.1371/journal.pgen.1009170 PMC 바로가기 [Article Type] Research Article
Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity기능적으로 보존된 부위에 대한 SARS-CoV-2 항체의 교차 중화는 결합력에 의해 매개됩니다Article Published on 2020-12-152022-09-12 Journal: Immunity [Category] MERS, SARS, 진단, [키워드] ACE2 acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 antibody Antibody avidity antibody COVA1-16 approach avidity bind binding block CDR CDR H3 complementarity-determining region conserved coronavirus coronavirus disease Coronavirus disease 2019 Coronavirus vaccines COVA1-16 COVID-19 cross-neutralization activity cross-neutralize cross-neutralizing cross-reactivity crystal structure domain driven by epitope epitope conservation Fab flexible functional IgG individual individual with COVID-19 Mediated MOST negative-stain electron microscopy neutralization overlap RBD RBS receptor respiratory SARS-CoV SARS-CoV-2 SARS-CoV-2 antibody SARS-CoV-2 RBD SARS-like coronavirus vaccine severe acute respiratory syndrome Coronavirus Site spike glycoprotein steric hindrance Structure the RBD the SARS-CoV-2 Therapies trimer Virus neutralization X-ray [DOI] 10.1016/j.immuni.2020.10.023 PMC 바로가기 [Article Type] Article
High-resolution structures of the SARS-CoV-2 2’-O-methyltransferase reveal strategies for structure-based inhibitor designArticle Published on 2020-12-022022-10-28 Journal: Science Signaling [Category] COVID-19, SARS, [키워드] Analysis antiviral inhibitors antiviral therapy backbone Betacoronavirus Bound Comparative complex conducted conformation conserved COVID-19 disease Donor drug design facilitate flexible global pandemic heterodimer Host immune IMPROVE inhibitor methylated opposite phosphate Protein responsible SAM SARS-CoV-2 Structure suggested the SARS-CoV-2 translation viral mRNA Viral protein virus X-ray [DOI] 10.1126/scisignal.abe1202 PMC 바로가기 [Article Type] Article
Gastroenterology Procedures Generate Aerosols: An Air Quality Turnover Solution to Mitigate COVID-19’s Propagation Risk위장병 절차는 에어로졸 생성: COVID-19의 전파 위험을 완화하기 위한 대기질 전환 솔루션Article Published on 2020-11-262022-08-31 Journal: International Journal of Environmental Research an [Category] 치료제, [키워드] 2019 coronavirus disease abundance Aerosols airborne disease airborne particles automatically calculated clinic clinical conditions clinics complex coronavirus coronavirus disease correlation COVID-19 cyber-physical system deposition determine excess flexible gastroenterology generate healthcare identify IMPROVE Infection involved issue management mitigate MONITOR pandemic Patient procedure promote Propagation Quality reduced risk Risk management solution Space tested this system throughput Transmission Transport Travel turnover Viral virus virus transmission [DOI] 10.3390/ijerph17238780 PMC 바로가기 [Article Type] Article
Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike ProteinArticle Published on 2020-11-262022-10-30 Journal: Materials [Category] COVID-19, [키워드] ACE2 Americas angiotensin-converting enzyme 2 bind cell entry cellular characterization Complete conformation conformational space contact map coronavirus 2 COVID-19 COVID-19 case difference domain drug drug target ENhance Europe facilitate flexible host cell membranes hotspot involved mechanism native contacts Novel coronavirus novel coronavirus disease pandemic Protein RBD required respiratory SARS-CoV-2 second wave solvation energy spike Spike protein stability structural stability suggested the RBD the SARS-CoV-2 the spike protein Trigger [DOI] 10.3390/ma13235362 PMC 바로가기 [Article Type] Article