Ginkgolic acid and anacardic acid are specific covalent inhibitors of SARS-CoV-2 cysteine proteasesResearch Published on 2021-02-282022-11-01 Journal: Cell & Bioscience [Category] COVID-19, [키워드] 3CL pro addition Anacardic acid antivirals characterized Compound compounds concentrations cysteine protease demonstrated develop enzyme ginkgolic acid in vitro inhibit SARS-CoV-2 inhibitor inhibitors of SARS-CoV-2 mechanism of action natural product nontoxic Papain-like protease Papain‐like protease protease provide Replication Result SARS-CoV-2 the SARS-CoV-2 [DOI] 10.1186/s13578-021-00564-x PMC 바로가기 [Article Type] Research
A Ligand Selection Strategy Identifies Chemical Probes Targeting the Proteases of SARS‐CoV‐2Research Article Published on 2021-01-282022-10-28 Journal: Angewandte Chemie (International ed. in English) [Category] COVID-19, SARS, [키워드] 3CL pro ABPP approach Cell Chemical chemical probes complementary cysteine protease derivative develop Efficacy electrophilic enzyme Enzyme inhibitors inhibitor inhibitors labeling Ligand probe protease Proteases proteome proteomic resulting SARS‐CoV‐2 Selection specificity Strategy target protein targeting tuning virus [DOI] 10.1002/anie.202016113 PMC 바로가기 [Article Type] Research Article
The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discoveryGRL0617과 SARS-CoV-2 PLpro의 복잡한 구조는 항바이러스 약물 발견을 위한 핫스팟을 보여줍니다Article Published on 2021-01-202022-09-10 Journal: Nature Communications [Category] 변종, 신약개발, 진단, 치료제, [키워드] Analysis Antiviral antiviral drug antiviral immune responses approved drug approved drugs assays binding binding energy binding pocket block C-terminus complex Compound contribute COVID-19 pandemic crystal structure cysteine cysteine protease domain dominant Drug discovery drug target dysregulation effective examined function Host hot spot identify immune responses implicated in vitro indicate Inflammation inhibit inhibitor inhibitors ISG15 library maturation mechanism mechanism of action mutants Nanocrystallography NMR Papain-like protease pathogen PLPro PPI Protein–protein interaction responsible reveal SARS-CoV-2 screened Structural analysis structural biology viral infection virus [DOI] 10.1038/s41467-020-20718-8 PMC 바로가기 [Article Type] Article
A Review on Plant Bioactive Compounds and Their Modes of Action Against Coronavirus InfectionPharmacology Published on 2021-01-112022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] 3CL pro Action affected Against Anti-viral anti-viral drug Antiviral treatment Chinese clinician combating Compound compounds coronavirus disease Coronavirus infection COVID-19 criteria cysteine protease database demonstrated described drug help Herb host immunity Houttuynia cordata identify in silico in vitro in vivo include mechanism medication medicinal plant Medicine mode MOST natural products outbreak Papain-like protease pathway penetration plant Protein protein synthesis Region researcher review Sambucus SARS SARS-CoV-2 screened selected Symptoms therapeutic drug Traditional traditional Chinese medicine (TCM) treat Treatment vaccine candidate viral illnesses viral infection Viral RNA virus [DOI] 10.3389/fphar.2020.589044 PMC 바로가기 [Article Type] Pharmacology
Drug Repurposing: Dipeptidyl Peptidase IV (DPP4) Inhibitors as Potential Agents to Treat SARS-CoV-2 (2019-nCoV) InfectionArticle Published on 2021-01-082022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] 2019-nCoV acute respiratory distress addition agent Antiviral agents approach beta coronavirus caused Compliance computational modeling Computational study Coronavirus-2 cysteine protease cysteine proteases Dipeptidyl peptidase 4 dipeptidyl peptidase IV inhibitors distribution DPP4 drug Drug repurposing Efficacy inhibit inhibitor inhibitors of SARS-CoV-2 investigated M pro MERS-CoV MERS-CoV CLpro molecular docking outbreak pandemic Patient peptidase Potential profiles reduced SAR-CoV SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 infections SARS-CoV-2 Mpro dimer SARS-CoV-2 Mpro protomer serine proteases small molecule drug stability syndrome Therapies Treatment type-2 diabete type-2 diabetes Vaccine viable treatment [DOI] 10.3390/ph14010044 PMC 바로가기 [Article Type] Article
Spatial and temporal roles of SARS-CoV PL pro -A snapshotSARS-CoV PL pro -A 스냅샷의 공간적 및 시간적 역할Review Published on 2021-01-012022-09-11 Journal: FASEB journal : official publication of the Federa [Category] 치료법, [키워드] 3CL pro accessory protein accessory proteins Antiviral appear autocleavage C-terminus can not cleave cleaved CoV replication cysteine cysteine protease dilemma domain E3 ubiquitin ligase envelope Factor inhibit inhibitor innate immune response Interaction interferon interferon-stimulated gene ISG15 its target protein its target proteins IκBα membrane motif NF-κB nonstructural protein nsp1 Nsp3 Nsps Nucleocapsid proteins p53 Papain Papain-like protease PLPro polyprotein polyproteins pp1a pp1ab promote protease Protein provide RCHY1 released Replication SARS-CoV SARS-CoV-2 SARS-CoV-2 infections stimulator STING TNF ubiquitin unique Viral Zinc [DOI] 10.1096/fj.202002271 PMC 바로가기 [Article Type] Review
Discovery of New Hydroxyethylamine Analogs against 3CL pro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure-Activity Relationship StudiesSARS-CoV-2의 3CL pro 단백질 표적에 대한 새로운 하이드록시에틸아민 유사체 발견: 분자 도킹, 분자 역학 시뮬레이션 및 구조-활성 관계 연구Article Published on 2020-12-282022-09-11 Journal: Journal of Chemical Information and Modeling [Category] SARS, 신약개발, 치료제, [키워드] 3CL pro Analysis Antiviral antiviral drugs approach approved bind binding pocket caused chymotrypsin Compound computer-aided drug design COVID-19 crystal structure cysteine cysteine protease demonstrated described docking docking score domain domains drug target Dynamics enzyme Health highlight in viral Indinavir initial screening lead linker M pro molecular docking molecular dynamics New Novel coronavirus pandemic parameters performed protease Protein relationship Replication reported SAR SARS-CoV SARS-CoV-2 Simulation stability supported target therapeutic Vaccine Viral viral replication Virtual screening virus [DOI] 10.1021/acs.jcim.0c00326 PMC 바로가기 [Article Type] Article
Targeting TMPRSS2 and Cathepsin B/L together may be synergistic against SARS-CoV-2 infectionTMPRSS2와 카텝신 B/L을 함께 표적으로 삼는 것은 SARS-CoV-2 감염에 대해 상승적일 수 있습니다Research Article Published on 2020-12-082022-08-13 Journal: PLoS Computational Biology [Category] Biochemistry, COVID-19, SARS, [키워드] ‘repurposing’ drugs achievement activate Activation blockade blocking blocking virus entry cathepsin Cathepsin B/L Cell cell lines cell population levels cell types cells clinical trials combination therapies combination therapy corresponding protease expression level COVID-19 COVID-19 pandemic cysteine cysteine protease cysteine proteases deployability dose-dependent manner drug drug combination drug combinations drugs targeting Effect Efficacy Efficiency effort entry of SARS-CoV-2 Evidence expression level facilitate help highlighting host protease host proteases host serine protease IMPROVE in vitro in vitro data in vivo independent independent entry pathway inhibitor inhibitors involved mathematical mathematical model minimal toxicities pathway Pathways potential treatment option predict predicted Prevent protease Proteases required SARS-CoV entry SARS-CoV-2 SARS-CoV-2 entry SARS-COV-2 infection Serine Single Cell Spike protein synergistic Synergistic drug combination Synergistic drug combinations synergy target cell target cells targeting the cell tissue tropism TMPRSS2 toxicities Treatment triggered virus entry [DOI] 10.1371/journal.pcbi.1008461 PMC 바로가기 [Article Type] Research Article
Cathepsin L in COVID-19: From Pharmacological Evidences to GeneticsCellular and Infection Microbiology Published on 2020-12-082022-10-31 Journal: Frontiers in Cellular and Infection Microbiology [Category] COVID-19, MERS, SARS, [키워드] acute respiratory syndrome addition antigen processing Apoptosis ARDS Atherosclerosis cathepsin cathepsin L Cathepsins Cell chronic inflammation coronavirus coronavirus disease COVID-19 COVID-19 patients cysteine protease Cytokine storm Deterioration detrimental diabetes discomfort disease Diseases drug enzyme etiology expression Extracellular matrix host cells host genetics Immunological response immunopathological implicated Infection infections inflammatory status inhibiting Invasion involved late stage lung lysosomal MERS-CoV Metastasis multiple organ failure other diseases Pandemics pathological condition physiological renal respiratory robust SARS-CoV SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 spike protein the disease therapeutic target treat tumors up-regulated viral infection [DOI] 10.3389/fcimb.2020.589505 PMC 바로가기 [Article Type] Cellular and Infection Microbiology
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysisSARS-CoV-2에 대한 항 HIV1 화합물의 가상 스크리닝: 기계 학습 모델링, 화학 정보학 및 분자 역학 시뮬레이션 기반 분석Article Published on 2020-11-232022-08-31 Journal: Scientific Reports [Category] SARS, 신약개발, 치료제, [키워드] 3CLpro Analysis analyzed avian coronavirus caused chymotrypsin Cluster Compound compounds coronavirus COVID-19 cysteine cysteine protease deep learning drug drug-likeness enzyme Final followed by functional functional group functional groups group High-throughput screening hour Infectious Bronchitis Virus inhibitor Interaction molecular docking molecular dynamics Molecular dynamics simulation molecular target pandemic PDB structure pharmacological Predictive SARS-CoV-2 screened sequence Sequence alignment the SARS-CoV-2 treated Virtual screening was done [DOI] 10.1038/s41598-020-77524-x PMC 바로가기 [Article Type] Article