Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessmentSARS-CoV-2에 대한 항 HIV 약물 및 식물성 플라보노이드 조합: 분자 도킹 시뮬레이션 기반 평가Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] acute respiratory syndrome Analysis anti-HIV drug anti-HIV drugs Anti-inflammatory antimalarial drug Antimalarial drugs Antiviral clinical evidence Combination combination therapy combined effect complex coronavirus darunavir docking docking score drug drug-likeness eight enzyme flavonoid genome replication H-bond Health Hypothesis in viral individual Ligand ligands M pro MM/PBSA molecular molecular docking Molecular docking study molecular docking-simulation Patient phyto-flavonoid prophylactic therapy protease Protease inhibitor quercetin respiratory RMSF SARS-CoV-2 selected selective Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus-2 Severe acute respiratory syndrome. stability viral genome replication [DOI] 10.1080/07391102.2021.1885495 PMC 바로가기 [Article Type] Article
Genetic Surveillance of SARS-CoV-2 Mpro Reveals High Sequence and Structural Conservation Prior to the Introduction of Protease Inhibitor PaxlovidArticle Published on 2022-08-302022-11-15 Journal: mBio [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] 3CLpro acute respiratory syndrome Analysis analyzed Antiviral antiviral drug Antiviral treatment antivirals baseline binding circulating cleavage clinical response conservation conserved Contact Coronaviral Coronaviridae family coronavirus COVID-19 COVID-19 pandemic Critical database determine drug target effort Emergency use authorization enzyme escape mutation EUA Evolution expected Genetic genomic GISAID globe health emergency implication inhibitor inhibitors initiative introduced isolate isolates M pro motifs MPro Mutation Nirmatrelvir pandemic progresse Paxlovid protease purifying selection raise reference sequence Region remained residue retrieved robust SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 Mpro SARS-CoV-2 viral selective sequence Sequencing starting point Surveillance surveillance. the SARS-CoV-2 the spike protein Treatment unique variants variants of SARS-CoV-2 virus widespread Wuhan-Hu-1 [DOI] 10.1128/mbio.00869-22 PMC 바로가기
A Self-Immolative Fluorescent Probe for Selective Detection of SARS-CoV-2 Main ProteaseArticle Published on 2022-08-302022-11-16 Journal: Analytical Chemistry [Category] SARS, 치료기술, [키워드] acute respiratory syndrome bovine BSA Cell coronavirus cytotoxicity detect detection diagnostic evaluate expression fluorescent HEK 293T hemoglobin infected cells infected with SARS-CoV-2 limit of detection linker M pro MONITOR Papain-like protease peptide Plasmid probe protease Research SARS-CoV-2 selective serum albumin the SARS-CoV-2 therapeutic thrombin transfected with trypsin [DOI] 10.1021/acs.analchem.2c02381 PMC 바로가기
In Silico Evaluation of Sesquiterpenes and Benzoxazinoids Phytotoxins against Mpro, RNA Replicase and Spike Protein of SARS-CoV-2 by Molecular Dynamics. Inspired by NatureArticle Published on 2022-08-292022-11-15 Journal: Toxins [Category] SARS, 치료제, [키워드] active against added addition Analysis antiviral activities benzoxazinoid calculated candidate complex complexes Compound COVID-19 derivative derivatives described docking docking score Dynamics ENhance evaluated fluctuation generate Hydrogen bond in silico interactions kinetic M pro molecular molecular docking molecular dynamics MPro Nature Phytotoxin protease Protein protein-ligand replicase RMSD RNA SARS-CoV-2 selected Sesquiterpene sesquiterpene. shown spike spike glycoprotein Spike protein stability tested the spike protein virus were assessed [DOI] 10.3390/toxins14090599 PMC 바로가기
In silico evidence of antiviral activity against SARS-CoV-2 main protease of oligosaccharides from Porphyridium spPorphyridium sp에서 유래한 올리고당의 SARS-CoV-2 주요 프로테아제에 대한 항바이러스 활성의 실리코 증거Article Published on 2022-08-252022-09-11 Journal: The Science of the total environment [Category] COVID19(2023년), SARS, 치료제, [키워드] active site Algae analysis antiviral activity candidate complex Compound conserved coronavirus COVID-19 demonstrated develop docking docking score drug candidates Effective strategies effective strategy eight Evidence Fatty acid high affinity in silico inhibit inhibitors M pro MD simulation microalgae oligosaccharide pandemic Paxlovid pharmacokinetics pigment polysaccharide polysaccharides Porphyridium protease Protein reduce mortality SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2. Spread stability sulfated tested tetra the SARS-CoV-2 therapy Treatment unsaturated virus [DOI] 10.1016/j.scitotenv.2022.155580 PMC 바로가기 [Article Type] Article
Protease-Responsive Peptide-Conjugated Mitochondrial-Targeting AIEgens for Selective Imaging and Inhibition of SARS-CoV-2-Infected CellsArticle Published on 2022-08-232022-11-15 Journal: ACS Nano [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] acute respiratory syndrome aggregation Cell cleavage coronavirus cytotoxicity effective Efficiency Health imaging induce infected cell infected cells inhibition inhibitor lack M pro main protease mitigate mitochondrial mitochondrial targeting peptide peptide-conjugated AIEgen Plasmid Prevent probe protease recombinant proteins SARS-CoV-2 SARS-CoV-2-infected cell SARS-CoV-2-infected cells selective therapeutic process transfected with Treatment triggering Viral transmission virus virus theranostics. [DOI] 10.1021/acsnano.2c03219 PMC 바로가기
Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (M pro) elucidated by microsecond MD simulations마이크로초 MD 시뮬레이션으로 밝혀진 SARS-CoV-2 주요 프로테아제(M pro)의 새로운 공유 및 비공유 복합 기반 약전 모델Article Published on 2022-08-182022-09-11 Journal: Scientific Reports [Category] SARS, 치료제, [키워드] active site Analysis AUC values cascade category caused complex conformational changes COVID-19 treatment develop Diagnosis docking drug target effective effort exhibited highest in silico inhibitor inhibitors Interaction knowledge M pro MD simulation MM/PBSA molecular molecular dynamics molecular dynamics simulations novel pandemic pocket Protein protein-ligand protocol reported residue SARS-CoV-2 SARS-CoV-2 main protease the SARS-CoV-2 therapeutic agent Treatment strategies Virtual screening [DOI] 10.1038/s41598-022-17204-0 PMC 바로가기 [Article Type] Article
Anisodamine potently inhibits SARS-CoV-2 infection in vitro and targets its main protease아니소다민은 시험관 내에서 SARS-CoV-2 감염을 강력하게 억제하고 주요 프로테아제를 표적으로 합니다Article Published on 2022-08-062022-09-11 Journal: Biochemical and Biophysical Research Communication [Category] Coronavirus, COVID19(2023년), SARS, 치료제, [키워드] active site acute respiratory disease acute respiratory syndrome acute respiratory syndrome coronavirus Amino acid amino acid residue analyzed Anisodamine Antiviral antiviral activity antiviral agent cells Chinese co-cultured coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Cys145 disease docking score effective drug effective drugs Gly143 H-bond HEK293 immunofluorescence assay in vitro indicated Infection inhibit M pro main protease molecular docking molecular docking studies Molecular docking study pandemic predicted protease pseudovirus entry reduced SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 main protease severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 suppressed target the SARS-CoV-2 therapeutic drug Traditional Chinese medicine treating COVID-19 Treatment treatment of COVID-19 Vero E6 VERO E6 cells viral infection Viral infection. [DOI] 10.1016/j.bbrc.2022.05.024 PMC 바로가기 [Article Type] Article
Discovery of 2-(furan-2-ylmethylene)hydrazine-1-carbothioamide derivatives as novel inhibitors of SARS-CoV-2 main proteaseSARS-CoV-2 주요 프로테아제의 신규 억제제로서의 2-(푸란-2-일메틸렌)히드라진-1-카르보티오아미드 유도체의 발견Article Published on 2022-08-052022-09-11 Journal: European journal of medicinal chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] 2-(furan-2-ylmethylene)hydrazine-1-carbothioamide derivatives Compound COVID-19 cytotoxicity demonstrated derivative drug design drug target furan Health house inhibitor inhibitors of SARS-CoV-2 kinetic library screening M pro main protease mass spectrometry MDCK cells Non-peptidomimetic inhibitors protease SARS-CoV-2 SARS-CoV-2. starting point Treatment treatment of COVID-19 Vero [DOI] 10.1016/j.ejmech.2022.114508 PMC 바로가기 [Article Type] Article
Luminescent Assay for the Screening of SARS-CoV-2 M Pro InhibitorsSARS-CoV-2 M Pro 억제제의 스크리닝을 위한 발광 분석Article Published on 2022-08-032022-09-11 Journal: Chembiochem [Category] COVID19(2023년), SARS, 치료제, [키워드] antiviral drug can be used cleavage site Enzymes exhibit imaging agents in viral Infection inhibitor inhibitors Luminescence luminescence. M pro outbreak peptide Pro probe protease Replication reported SARS-CoV-2 Screening viral replication [DOI] 10.1002/cbic.202200190 PMC 바로가기 [Article Type] Article