Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2Article Published on 2023-03-282024-09-05 Journal: Antiviral Research [Category] update2024, [키워드] 3-chymotrypsin-like protease coronavirus crystal structure Deuterated drug S-217622 (ensitrelvir) SARS-CoV-2 [DOI] 10.1016/j.antiviral.2023.105586 PMC 바로가기 [Article Type] Article
pH profiles of 3-chymotrypsin-like protease (3CLpro) from SARS-CoV-2 elucidate its catalytic mechanism and a histidine residue critical for activityArticle Published on 2023-02-012023-07-11 Journal: The Journal of Biological Chemistry [Category] COVID19(2023년), [키워드] 3-chymotrypsin-like protease catalytic dyad Conserved histidine COVID-19 Initial velocity studies pH studies. SARS-CoV-2 thermodynamic stability [DOI] 10.1016/j.jbc.2022.102790 PMC 바로가기
[Bioactive compounds of Jingfang Granules against SARS-CoV-2 virus proteases 3CLpro and PLpro]Article Published on 2022-10-182023-07-10 Journal: Beijing da xue xue bao. Yi xue ban = Journal of Pe [Category] COVID19(2023년), [키워드] 3-chymotrypsin-like protease Effective components Jingfang Granules Papain like protease severe acute respiratory syndrome coronavirus 2 [DOI] 10.19723/j.issn.1671-167X.2022.05.018 PMC 바로가기
Key dimer interface residues impact the catalytic activity of 3CLpro, the main protease of SARS-CoV-2Article Published on 2022-06-012023-07-09 Journal: The Journal of Biological Chemistry [Category] COVID19(2023년), [키워드] 3-chymotrypsin-like protease 3CLpro COVID-19 kinetic characterization SARS-CoV-2 thermodynamic stability [DOI] 10.1016/j.jbc.2022.102023 PMC 바로가기
Caffeine and caffeine-containing pharmaceuticals as promising inhibitors for 3-chymotrypsin-like protease of SARS-CoV-2SARS-COV-2의 3- 키모 트립신 유사 프로테아제에 대한 유망한 억제제로서 카페인 및 카페인 함유 제약.Article Published on 2022-03-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, 치료제, [키워드] 3-chymotrypsin-like protease 3CL pro active site active sites acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 approved aqueous solution binding binding affinity bromotheophylline caffeine caffeine-containing pharmaceuticals catalytic chymotrypsin clinical trial complexes conformation coronavirus coronavirus SARS-CoV-2 COVID-19 COVID-19 treatment demonstrated docked complex docked complexes drug Drug administration dyphylline free energy Free energy calculation Free energy calculations in silico in vitro in vivo inhibitor inhibitory effect istradefylline knowledge linagliptin molecular molecular dynamics Molecular dynamics simulation molecular dynamics simulations Molecular mechanics New coronavirus outbreak Pentoxifylline protease pulmonary disease ranged repurposing residue SARS-CoV-2 Seven severe acute respiratory syndrome Coronavirus shown stability surface area theophylline therapeutic Treatment [DOI] 10.1080/07391102.2020.1835732 PMC 바로가기 [Article Type] Article
Molecular Docking and Dynamics Investigations for Identifying Potential Inhibitors of the 3-Chymotrypsin-like Protease of SARS-CoV-2: Repurposing of Approved Pyrimidonic Pharmaceuticals for COVID-19 TreatmentSARS-COV-2의 3- chymotrypsin- 유사 프로테아제의 잠재적 억제제를 식별하기위한 분자 도킹 및 역학 조사 : Covid-19 치료를위한 승인 된 피리 미도 론적 제약의 재구성Article Published on 2021-12-092022-08-31 Journal: Molecules [Category] SARS, 신약개발, 치료제, [키워드] 3-chymotrypsin-like protease 3CL pro active site active sites approved binding binding affinity binding energy binding free energy catalytic catalytic dyad chymotrypsin citicoline complexes conformation coronavirus SARS-CoV-2 COVID-19 Cys145 cytarabine determined by docked complex drug Drug administration Dynamics Floxuridine food free energy His41 identifying inhibitory effect investigation involved lamivudine molecular molecular docking molecular dynamics molecular dynamics simulations Molecular mechanics mustard pharmaceutical Potential protease pyrimidonic pharmaceuticals ranged repurposing residue residues SARS-CoV-2 stability stavudine surface area telbivudine tested tipiracil trifluridine uracil uracil mustard uridine uridine triacetate US Food and Drug Administration zalcitabine [DOI] 10.3390/molecules26247458 PMC 바로가기 [Article Type] Article
Structure-Function Characteristics of SARS-CoV-2 Proteases and Their Potential Inhibitors from Microbial SourcesReview Published on 2021-11-302022-10-29 Journal: Microorganisms [Category] COVID-19, [키워드] 3-chymotrypsin-like protease 3CLpro Antiviral Bacteria candidate caused Community Compound coronavirus 2 COVID-19 COVID-19 pandemic cysteine protease drug drug design drug target expand function fungi Health HIV protease inhibitor Host Infection information inhibitor inhibitors less microbial Modification nucleic acids nucleosides nucleotides Papain-like protease platform PLPro Potential protease Proteases Protein protein synthesis reported researcher resource respiratory RNA SARS-CoV-2 SARS-CoV-2 protease SARS-CoV-2 proteases SARS-CoV-2 viral SARS-CoV2 Source Spread structures suggested the SARS-CoV-2 Transcription translation Treatment urgency virus virus replication while with COVID-19 [DOI] 10.3390/microorganisms9122481 PMC 바로가기 [Article Type] Review
Virtual screening of plant-derived compounds against SARS-CoV-2 viral proteins using computational tools컴퓨터 도구를 사용한 SARS-CoV-2 바이러스 단백질에 대한 식물 유래 화합물의 가상 스크리닝Article Published on 2021-08-102022-09-11 Journal: The Science of the total environment [Category] SARS, 치료제, [키워드] 3-chymotrypsin-like protease addition amyrin antiviral activity Atazanavir AutoDock binding Chloroquine chymotrypsin Chymotrypsin-like protease Compound computational tool Control COVID-19 COVID-19 pandemic delphinidin dicumarol docking Docking studies drug evaluate evaluated explain glycoprotein Glycyrrhetinic acid glycyrrhizin highest affinity host cell host cells hydrogen Hydrogen bond hydrophobic hydrophobic interaction hydrophobic interactions Hydroxychloroquine identify in viral inhibitor Interaction involved lowest M pro molecular molecular docking molecular target nelfinavir new SARS-CoV-2 plants protease Protein Proteins public health Recognition Replication responsible S protein SARS-CoV-2 SARS-CoV-2 viral SARS-CoV2 spike spike glycoprotein taraxasterol target umifenovir Viral protein Viral proteins viral replication viral spike virus was performed were used [DOI] 10.1016/j.scitotenv.2021.146400 PMC 바로가기 [Article Type] Article
Catalytic Dyad Residues His41 and Cys145 Impact the Catalytic Activity and Overall Conformational Fold of the Main SARS-CoV-2 Protease 3-Chymotrypsin-Like ProteaseChemistry Published on 2021-06-242022-10-31 Journal: Frontiers in Chemistry [Category] COVID-19, [키워드] 3-chymotrypsin-like protease 3CLpro activity Amino acid Antiviral catalytic catalytic activity catalytic dyad catalytic function catalytic rate caused changes in characterized cleavage Complete conformational coronavirus coronavirus disease Coronaviruses COVID-19 Cys145 death development dimeric dyad effective enzyme facilitated fold His41 Impact inactivation investigated mechanism observation Outbreaks pandemic Pandemics polyprotein polyproteins protease residue responsible SARS-CoV-2 SARS-CoV-2 protease secondary structure site-directed mutagenesis stability Substitution substitutions target tested thermodynamic thermodynamic stability variant variants was reduced were used wild-type [DOI] 10.3389/fchem.2021.692168 PMC 바로가기 [Article Type] Chemistry
Triazavirin might be the new hope to fight Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)Article Published on 2021-01-012023-06-23 Journal: Ceská a Slovenská farmacie : casopis Ceské farmaceutické spolecnosti a [Category] SARS, 신종인플루엔자, [키워드] 3-chymotrypsin-like protease ACE-2 COVID-19 Drug repurposing SARS-CoV-2 structural proteins triazavirin