Elucidating the path to Plasmodium prolyl-tRNA synthetase inhibitors that overcome halofuginone resistance Research Published on 2022-08-252022-10-05 Journal: Nature Communications [Category] 변종, 치료제, [키워드] aminoacyl-tRNA synthetases antimalarial asexual biochemical assay Blood cellular Chemotherapy complexes Compound Critical develop engage Host human liver inhibitor inhibitors Ligand limitation malaria overcome parasite Plasmodium platform public health Quantitative resistance mechanism sensitivity Stage Structure target Therapies [DOI] 10.1038/s41467-022-32630-4 [Article Type] Research
Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escapeOmicron SARS-CoV-2 돌연변이는 스파이크 업-RBD 형태를 안정화하고 비-RBM-결합 단일클론 항체 탈출을 유도합니다Article Published on 2022-08-242022-09-11 Journal: Nature Communications [Category] SARS, 변종, 유전자 메커니즘, 진단, [키워드] Accessibility ACE2 binding Analysis antibody complexes conformational change cryo-EM ENhance epitope expand human ACE2 immune evasion mechanism monoclonal antibody Mutation neutralizing antibody omicron performed Prevent prototype Receptor binding restrict S309 SARS-CoV-2 SARS-CoV-2 mutation stability Substitution substitutions target triggered up-RBD variants of concern VOCs [DOI] 10.1038/s41467-022-32665-7 PMC 바로가기 [Article Type] Article
Surface charge changes in spike RBD mutations of SARS-CoV-2 and its variant strains alter the virus evasiveness via HSPGs: A review and mechanistic hypothesisArticle Published on 2022-08-242022-11-16 Journal: Frontiers in Public Health [Category] SARS, 변종, 유전자 메커니즘, [키워드] Affect Alter antibodies antibody binding binding affinity calculated cells change changes changes in Characteristics complexes contagious COVID-19 pandemic distribution docking domain drug design electrostatic electrostatic interaction ENhance entry of SARS-CoV-2 epitope hACE2 HSPGs human Angiotensin-converting enzyme hypothese Hypothesis immune evasion Invasion involved molecular mechanism mutant Mutation mutations neutralizing antibody occurred omicron pathophysiological Point mutation positive Protein Proteoglycan RBD RBD mutation RBD mutations residue S protein S trimer SARS-CoV-2 SARS-CoV-2 mutation SARS-CoV-2 variants strain surface the RBD Therapies Vaccine development variant variant strain viral fitness viral infectivity virulence virus virus receptor [DOI] 10.3389/fpubh.2022.952916 PMC 바로가기
Omicron Binding Mode: Contact Analysis and Dynamics of the Omicron Receptor-Binding Domain in Complex with ACE2오미크론 결합 모드: ACE2와 복합된 오미크론 수용체 결합 도메인의 접촉 분석 및 역학Article Published on 2022-08-222022-09-11 Journal: Journal of Chemical Information and Modeling [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 affected angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 antibodies B.1.1.529 binding complex complexes Contact COVID-19 Department distribution domain Dynamics edge Effect electrostatic form H-bond host receptor human ACE2 IMPROVE Interaction Lineage molecular molecular dynamics Mutation mutations N501Y omicron Omicron variant Open Science Framework Protein Proteins Receptor-binding domain resistance S-RBD Salt Bridge salt bridges SARS-CoV-2 virus spike Spike protein Spike proteins Stanford the receptor-binding domain the SARS-CoV-2 virus the Spike the WHO unique variant VoC [DOI] 10.1021/acs.jcim.2c00397 PMC 바로가기 [Article Type] Article
Identification and Inhibition of the Druggable Allosteric Site of SARS-CoV-2 NSP10/NSP16 Methyltransferase through Computational Approaches컴퓨터 접근을 통한 SARS-CoV-2 NSP10/NSP16 메틸트랜스퍼라제의 약물 가능 알로스테릭 부위의 식별 및 억제Article Published on 2022-08-172022-09-11 Journal: Molecules [Category] SARS, 변종, [키워드] affected allosteric site antagonistic action assessment binding free energy caused complexes Compound COVID-19 COVID-19 pandemic Drug discovery drug library effort enzyme evaluated exhibited Health Host identification Infectious virus inhibition inhibitor inhibitors life life cycle methyl transferase methyltransferase molecular molecular docking molecular dynamics Molecular dynamics simulation molecular interaction Perspective proliferation PROTECT Research robust SARS-CoV-2 SARS-CoV-2 life cycle screened Simulation Site stability target the SARS-CoV-2 these compound these compounds variants Viral RNA was performed [DOI] 10.3390/molecules27165241 PMC 바로가기 [Article Type] Article
Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1Alpha에서 Omicron BA.1까지 변이체를 교차 중화하는 조상 SARS-CoV-2 균주에 의해 유도된 항체Article Published on 2022-08-122022-09-11 Journal: Science Immunology [Category] Fulltext, SARS, 변종, 진단, [키워드] ACE2 binding antibodies antibody B cell binding binding site breadth caused Cell Clusters complexes cross-neutralize Defense defined Delta determinant determinants determine disease driven by Efficacy escape Fab FIVE greater highest Host host defense identifying Immune escape immune protection Infection initial memory B memory B cell Mitigation Mutation neutralization neutralization potency neutralize neutralized Neutralizing activity Neutralizing antibodies neutralizing antibody omicron Prevalence RBD real-world data Receptor binding domain recognize recognizing Region SARS-CoV-2 SARS-CoV-2 spike glycoprotein SARS-CoV-2 strain sensitivity Specificities specificity spike glycoprotein Spike receptor binding domain Structure structures tested the RBD the SARS-CoV-2 Vaccine vaccine efficacy variant variants variants of concern Viral viral escape viral invasion Wuhan strain [DOI] 10.1126/sciimmunol.abo3425 PMC 바로가기 [Article Type] Article
The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate강력한 항바이러스 약물 후보로서 SARS-CoV-2 3C 유사 프로테아제에 대한 펩티도미메틱 억제제의 구조 기반 설계Article Published on 2022-08-052022-09-11 Journal: European journal of medicinal chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] 3C Like protease 3CL 3CL pro acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 anti-SARS-CoV-2 Anti-viral anti-viral drug applied complexes Compound coronavirus 2 coronavirus disease Coronavirus disease 2019 COVID-19 deficiency described develop drug candidates effective inhibit inhibitor inhibitors inhibitory activity Like Medicine pathogen Peptidomimetic inhibitors potent Prevent Pro protease Protease inhibitor protein-ligand respiratory SARS-CoV-2 screened Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus structure-based design targeting the SARS-CoV-2 Transcription treat viral replication X-ray [DOI] 10.1016/j.ejmech.2022.114458 PMC 바로가기 [Article Type] Article
Dysregulation of the kallikrein-kinin system in bronchoalveolar lavage fluid of patients with severe COVID-19Research article Published on 2022-08-052022-10-05 Journal: EBioMedicine [Category] SARS, 바이오마커, 유전자 메커니즘, 진단, 치료기술, [키워드] ACE2 acute respiratory syndrome angiotensin-converting enzyme 2 BAL BAL fluid bind Biomarker Bronchoalveolar lavage Bronchoalveolar lavage fluid Coagulation system complexes contribute coronavirus COVID COVID-19 Critical dysregulation explain extracellular traps finding funding help hydrolytic activity Hypothesis increased vascular permeability inflammatory chemokines kallikrein-kinin Kallikrein-kinin system Kallikreins Kinins Leuven mechanically ventilated mechanically ventilated patient median myeloperoxidase NETs Neutrophil extracellular trap observation occur oedema Patient patients without COVID-19 peptide peptides plasma potential treatment option receptor Research SARS-CoV-2 severe COVID-19 severe pulmonary disease Support thromboembolic complication thromboembolic complications Thromboinflammation tissue [DOI] 10.1016/j.ebiom.2022.104195 [Article Type] Research 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] COVID19(2023년), SARS, 변종, 신약개발, [키워드] ACE-2 acute respiratory syndrome acute respiratory syndrome coronavirus angiotensin angiotensin-converting enzyme 2 approach Area atovaquone AY.1 B.1.617.2 binding affinity binding site candidate causative agent complex complexes Compound contagious contribute coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Critical Delta delta variant Delta variants docking result docking results drug Drug repurposing drug-likeness drugs eight enzyme FDA approved drug FDA approved Drugs followed by genomic help heparin highest binding affinity Host hydrogen Hydrogen bond identify in silico inhibiting inhibitor inhibitors interact Interaction interactions Lambda Ligand MD simulation MD simulations molecular molecular docking molecular dynamics Molecular dynamics simulation Molecular mechanics morbidity and mortality mortality rates Mutation mutations Praziquantel Protein Proteins RBD Receptor-binding domain reported Research researcher residue SARS-CoV-2 SARS-CoV-2 RBD SARS-CoV-2 variant selected severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 Simulation spike spike mutation Spike protein stability surface surface area targets the receptor-binding domain the spike protein variant variants variants of concern viral cell Virtual screening VoC was done was performed wild type Wuhan Wuhan, China [DOI] 10.1016/j.compbiomed.2022.105709 PMC 바로가기 [Article Type] Article
Electrochemical genosensor for the specific detection of SARS-CoV-2SARS-CoV-2의 특정 검출을 위한 전기화학적 제노센서Article Published on 2022-08-012022-09-11 Journal: Talanta [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] alternative biotinylated capture caused cell cultures complex complexes coronavirus disease COVID-19 cultures detect Diagnosis diagnostic discrimination disease DNA-RNA followed by Genosensor homologous horseradish peroxidase imperative in vitro Increases limit of detection maleimide molecular mortality rate Nanobioconjugate pandemic Particles peroxidase probe probes respiratory respiratory viruses responsible SARS-CoV-2 SARS-CoV-2 cell SARS-CoV-2 detection sensitivity serological test Serological tests Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus-2 Signaling streptavidin Surveillance tested the patient virus [DOI] 10.1016/j.talanta.2022.123482 PMC 바로가기 [Article Type] Article