SARS-CoV-2 main protease inhibitors: What is moving in the field of peptides and peptidomimetics?Article Published on 2023-05-012023-07-11 Journal: Journal of peptide science : an official publication of the European [Category] COVID19(2023년), [키워드] covalent COVID-19 inhibitors main protease MPro peptides peptidomimetics. SARS-CoV-2 [DOI] 10.1002/psc.3467 PMC 바로가기
Systematic identification of chemical components in Fufang Shuanghua oral liquid and screening of potential active components against SARS-CoV-2 proteaseArticle Published on 2023-01-202023-07-10 Journal: Journal of pharmaceutical and biomedical analysis [Category] COVID19(2023년), [키워드] fluorescence resonance energy transfer Fufang Shuanghua oral liquid MPro UPLC-Q-TOF-MS/MS virtual screening. [DOI] 10.1016/j.jpba.2022.115118 PMC 바로가기
An integrated metabolomic and proteomic approach for the identification of covalent inhibitors of the main protease (Mpro) of SARS-COV-2 from crude natural extractsArticle Published on 2023-01-152022-11-15 Journal: Talanta [Category] SARS, 유전자 메커니즘, 치료제, [키워드] Analysis applied approach baicalein binding carried catalytic characteristic Chinese complementary complex Compound Covalent binder Cys145 database drug target electrophilic Final functional HIS163 HIS164 His41 independent inhibitor inhibitors Ion knowledge M pro M(pro) mass mass spectrometry maturation metabolomic metabolomics Michael molecular dynamics MPro nucleophilic peptide platform polyprotein protease protein-ligand Proteins proteomic proteomics residue SARS-CoV-2 SARS-CoV-2. Scutellaria baicalensis tested the SARS-CoV-2 [DOI] 10.1016/j.talanta.2022.123824 PMC 바로가기
Identification of potent compounds against SARs-CoV-2: An in-silico based drug searching against MproArticle Published on 2022-12-012023-07-10 Journal: Computers in biology and medicine [Category] COVID19(2023년), [키워드] COVID-19 Molecular docking and simulation MPro Synthetic compounds virtual screening. [DOI] 10.1016/j.compbiomed.2022.106284 PMC 바로가기
Acriflavine and proflavine hemisulfate as potential antivirals by targeting MproArticle Published on 2022-12-012022-11-15 Journal: Bioorganic chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] ACF acriflavine activity addition anti-SARS-CoV-2 Antiviral antiviral target BHK-21 cell Compound Coronaviruses demonstrated effective drugs effort enzymatic assay experiment HCoV-OC43 in vitro Infection inhibited inhibitor inhibitors inhibitory activity M pro M(pro) inhibitor MPro Proflavine Proflavine hemisulfate Remdesivir Replication reported SARS-CoV-2 SARS-CoV-2 epidemic SARS-CoV-2 virus SARS-CoV-2. Transcription Viral RNA [DOI] 10.1016/j.bioorg.2022.106185 PMC 바로가기
From the Wuhan-Hu-1 strain to the XD and XE variants: is targeting the SARS-CoV-2 spike protein still a pharmaceutically relevant option against COVID-19?우한-Hu-1 변종에서 XD 및 XE 변종까지: SARS-CoV-2 스파이크 단백질을 표적으로 하는 것이 여전히 COVID-19에 대한 약학적으로 적절한 옵션입니까?Article Published on 2022-12-012022-09-11 Journal: Journal of Enzyme Inhibition and Medicinal Chemist [Category] COVID19(2023년), SARS, 변종, [키워드] contributing to COVID-19 COVID-19 pandemic death Efficacy feature glycoprotein hospitalisations infections milestone MPro Mutation mutations outbreak pandemic Paxlovid Protein reported SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 variant spike Spike protein Surface glycoprotein the SARS-CoV-2 the SARS-CoV-2 genome the Spike Treatment Vaccines variant viral surface Wuhan-Hu-1 XD variant XE variant. [DOI] 10.1080/14756366.2022.2081847 PMC 바로가기 [Article Type] Article
Label-free Sensing of Main Protease Activity of SARS-CoV-2 with an Aerolysin NanoporeArticle Published on 2022-11-022022-11-15 Journal: Chemistry, an Asian journal [Category] SARS, 치료기술, [키워드] activity acute respiratory syndrome amplification Biomarker cleavage cleaved Concentration conserved coronavirus Critical diagnostic enzyme events exhibited expand M pro MPro Nanopore peptide produced protease Replication SARS-CoV-2 sensitivity sensors. translocated viruses [DOI] 10.1002/asia.202200747 PMC 바로가기
Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 MPro, SPro, and RdRp: A Pharmacological PerspectiveArticle Published on 2022-10-172022-11-15 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] (S)-Goniothalamin Anti-viral anticancer antioxidant antiviral properties antiviral property approach characterization complex Compound coronavirus COVID-19 derivation derivative disease drug examined LC-MS molecular molecular dynamics MPro NMR pandemic performed phytochemical platform Pro RdRP required Research SARS-CoV-2 SARS-COV-2 infection Simulation study spike glycoprotein spike glycoprotein. target target protein threat [DOI] 10.3390/molecules27206962 PMC 바로가기
Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR StudiesArticle Published on 2022-10-132022-11-15 Journal: International Journal of Molecular Sciences [Category] COVID19(2023년), SARS, 치료제, [키워드] addition Anticoagulant Anticoagulants carried Compound compounds conducted COVID-19 cytotoxicity demonstrated drug Dynamics eligible enzyme highest highest binding affinity Idraparinux in silico in silico approaches in vitro in vitro. inhibitory inhibitory activity inhibitory concentration intrinsic investigated M pro molecular molecular docking MPro MTT performed Potential protease reference standard SAR SARS-CoV-2 SARS-CoV-2 Mpro screened sodium the SARS-CoV-2 thermodynamic [DOI] 10.3390/ijms232012235 PMC 바로가기
Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics SimulationsArticle Published on 2022-10-122022-11-15 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] 3D structure active site addition applied binding binding features binding site catalytic Complexes Confusion Coverage COVID-19 dataset delirium dissociation Dizziness drug candidate drug design Dynamics Effectiveness facilitate feature high affinity information inhibitor Ligand M pro MCCS modulator molecular molecular dynamics simulations. MPro Multiple Neurological symptom pathway protease Protein provided reported SARS-CoV-2 Seizures Simulation stroke Vaccine were used [DOI] 10.3390/molecules27206823 PMC 바로가기