Design of modular autoproteolytic gene switches responsive to anti-coronavirus drug candidatesArticle Published on 2021-11-222022-10-04 Journal: Nature Communications [Category] SARS, 변종, 진단, 치료제, [키워드] activating activity Analysis anti-viral drug Bioavailability Cell cellular Concentration Coronaviridae coronavirus Culture drug candidate expression free cell functional human cells identify in vivo inhibiting viral replication inhibitor inhibitors MPro Mutation PLPro polyprotein protease Protease inhibitor protease inhibitors Proteases representing SARS-CoV-2 SARS-CoV-2 protease sensitivity Synthetic biology target transcription factor transgene viral infection virus [DOI] 10.1038/s41467-021-27072-3 PMC 바로가기 [Article Type] Article
Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 MproCommunication Published on 2021-11-122022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] Accuracy applied approach Compound Computational study drug design evaluate experimental analysis higher affinity investigation Modification MPro MST Potential SARS-CoV-2 Mpro tested the SARS-CoV-2 Thiocarbamate thiocarbamates [DOI] 10.3390/ph14111153 PMC 바로가기 [Article Type] Communication
Understanding the binding mechanism for potential inhibition of SARS‐CoV‐2 Mpro and exploring the modes of ACE2 inhibition by hydroxychloroquineResearch Article Published on 2021-11-062023-07-01 Journal: Journal of cellular biochemistry [Category] COVID19(2023년), SARS, [키워드] ACE‐2 Hydroxychloroquine Lopinavir MPro Ritonavir SARS‐CoV‐2 [DOI] 10.1002/jcb.30174 PMC 바로가기 [Article Type] Research Article
Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics SimulationsArticle Published on 2021-11-052022-10-28 Journal: The British journal of oral & maxillofacial surger [Category] COVID-19, [키워드] acidic pH Affect analysed catalytic change changes conditions coronavirus Cys145 distribution docking docking analysis Dynamics Effect evaluated His41 inhibitor Interaction mechanism molecular dynamics MPro not affected PF-00835231 Pfizer pH Replication residue SARS-CoV-2 Mpro Simulation solvent stability the SARS-CoV-2 therapeutic target Transcription Volume was performed [DOI] 10.3390/polym13213823 PMC 바로가기 [Article Type] Article
Repurposing the inhibitors of COVID-19 key proteins through molecular docking approachResearch article Published on 2021-11-012022-10-05 Journal: Process Biochemistry [Category] 신약개발, [키워드] active site acute respiratory syndrome ADME Adsorption approach Benazepril binding affinity can be used coronavirus COVID-19 distribution docking drug Drug suitability drug targets drugs targeting effective evaluate evaluated Health identify in viral inhibitor involved metabolism Moexipril molecular molecular docking MPro non-toxic potential therapeutic agent predict protease Protein RdRP Replication repurposing RNA virus RNA-dependent RNA polymerase spike glycoprotein structural proteins survival therapeutic therapeutic targets Trandolapril Treatment virus was used [DOI] 10.1016/j.procbio.2021.08.015 [Article Type] Research article
Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLproSARS-COV-2 MPRO 3CLPRO에 대한 천연 제품 기반 약물 설계Article Published on 2021-10-292022-08-31 Journal: International Journal of Molecular Sciences [Category] SARS, 신약개발, 치료제, [키워드] 3CLpro acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 ADMET properties affected analyzed Antiviral approach best can be used catalytic caused Combination complexes Compound coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 cysteine docking drug druggability drugs followed by histidine in vitro Interaction Ligand molecular dynamics Molecular dynamics simulation MPro natural natural products outbreak pharmacokinetic protease protocol public health residue respiratory SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 Mpro selected severe acute respiratory syndrome Coronavirus Spread the SARS-CoV-2 Treatment [DOI] 10.3390/ijms222111739 PMC 바로가기 [Article Type] Article
Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-LSARS-CoV-2 주요 프로테아제(Mpro/3CLpro) 및 인간 카텝신-L에 대한 MG-132의 이중 억제 구조 및 생화학적 분석Article Published on 2021-10-292022-09-10 Journal: International Journal of Molecular Sciences [Category] SARS, 신약개발, 치료제, [키워드] active site Antiviral strategies binding biochemical catalytic cathepsin Cathepsin-L conditions covalent binding covalent bond COVID-19 pandemic Cys145 cysteine docking drug design dual target inhibitor effective drugs Evidence feature group highlighting Human in silico inhibit inhibited inhibition MG-132 MPro Mpro/3CLPro multi peptidomimetics Perspective protease reducing Replication SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 main protease similarity Structure therapy X-ray diffraction [DOI] 10.3390/ijms222111779 PMC 바로가기 [Article Type] Article
Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2Article Published on 2021-10-292022-10-30 Journal: Molecules [Category] COVID-19, SARS, [키워드] Anastatica hierochuntica Citrus reticulate in vitro screening Kickxia aegyptiaca aglycone Analysis Anastatica candidate carried Citrus co-crystallized Combination Compound drug Effects evaluated examined flavonoid flavonoid aglycones highest hydrolyzed identify in vitro in vivo inflammatory disease inhibitor metabolite methanol molecular docking Molecular docking study MPro Naturally Potential reference standard SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 Mpro Structure therapeutic potential these compound virus inhibition [DOI] 10.3390/molecules26216559 PMC 바로가기 [Article Type] Article
In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main ProteaseArticle Published on 2021-10-142022-10-30 Journal: Molecules [Category] COVID-19, MERS, SARS, [키워드] activity analyzed anti-SARS-CoV-2 therapeutics bemcentinib binding affinity Bisoctrizole candidate caused collected Compound contagious coronavirus docking drug DrugBank database Human identification in silico analysis inhibiting Interaction M pro macromolecular main protease MD simulation molecular MPro organic pandemic parameter pharmacokinetic polyprotein Potential proportions protease Research SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 virus stability Structure targeted therapy the SARS-CoV-2 the SARS-CoV-2 virus these compound translated triazole validation variants Viral RNA virus were assessed [DOI] 10.3390/molecules26206199 PMC 바로가기 [Article Type] Article
Identification of Berbamine, Oxyacanthine and Rutin from Berberis asiatica as anti-SARS-CoV-2 compounds: An in silico studyArticle Published on 2021-10-112023-06-15 Journal: Journal of molecular graphics & modelling [Category] MERS, SARS, [키워드] B. asiatica berbamine MPro Oxyacanthine phytochemicals SARS-CoV-2 [DOI] 10.1016/j.jmgm.2021.108028 PMC 바로가기 [Article Type] Article