Converting non-neutralizing SARS-CoV-2 antibodies into broad-spectrum inhibitorsArticle Published on 2022-11-012022-11-15 Journal: Nature chemical biology [Category] SARS, 변종, 진단, [키워드] ACE2 acute respiratory syndrome addition angiotensin-converting enzyme 2 antibody binding component conserved coronavirus defined Diseases epitope Epitopes highlighting inhibitor inhibitors inhibitory linker monoclonal neutralize Neutralizing activity non-neutralizing antibody omicron pandemic receptor SARS-CoV-2 SARS-CoV-2 antibody SARS-CoV-2 evolution SARS-CoV-2 variant target the SARS-CoV-2 Treatment viral spike protein VOCs [DOI] 10.1038/s41589-022-01140-1 PMC 바로가기
Interaction of HDAC2 with SARS-CoV-2 NSP5 and IRF3 Is Not Required for NSP5-Mediated Inhibition of Type I Interferon Signaling PathwayArticle Published on 2022-10-262022-11-15 Journal: Microbiology Spectrum [Category] COVID19(2023년), SARS, 치료제, [키워드] abrogate activated addition bind binding biological significance cellular processe complex disrupt DNA Epigenetic Evidence expression favor Gene Expression HDAC2 Host host antiviral response IFN response IFN signaling pathway IFN-stimulated genes IFNβ IL-1β IL-6 immune response gene inhibit inhibition inhibitory interact Interaction interferons involved IRF3 nsp5 over Pathogenesis pathway promote promoter promoters protease Protease activity protein interaction protein-protein interactions reduce Regulation Replication repress required RNA SARS-CoV-2 SARS-CoV-2 protein Signaling signaling pathway significantly subset Type Type I IFN Type I IFN signaling type I interferon viral infection viral infections Viral protein virus [DOI] 10.1128/spectrum.02322-22 PMC 바로가기
On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics StudyArticle Published on 2022-10-242022-11-15 Journal: Journal of Chemical Information and Modeling [Category] COVID19(2023년), SARS, 치료제, [키워드] absence affecting Antiviral computational method COVID-19 outbreak Cryo-electron microscopy cytidine Dynamics endogenous enzyme help implication in silico information inhibitor inhibitory innate immune response investigated MD simulation mechanism molecular molecular mechanism multiple mutation natural novel coronavirus SARS-CoV-2 nucleotide pandemic Protein RdRP RdRp active site Recognition responsible RNA RNA sequence RNA-dependent RNA polymerase SARS-CoV-2 substrate viral replication virus [DOI] 10.1021/acs.jcim.2c01002 PMC 바로가기
Computational Design and Experimental Validation of ACE2-Derived Peptides as SARS-CoV-2 Receptor Binding Domain InhibitorsArticle Published on 2022-10-202022-11-16 Journal: The journal of physical chemistry. B [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 ACE2 binding Algorithm Alpha variant bind binding binding affinity candidate caused Concentration concentrations COVID-19 pandemic demonstrated disrupt domain ELISA assays entry of SARS-CoV-2 experiments expressed globe host cells human cells inhibitory initial insoluble Interaction moderate Molecular dynamics simulation molecule peptidase peptide Prevent Protein RBD SARS-CoV-2 SARS-CoV-2 RBD SARS-CoV-2-RBD sequence spike the RBD the SARS-CoV-2 therapeutic These data validation variants virus entry was used Wuhan-Hu-1 α1 helix [DOI] 10.1021/acs.jpcb.2c03918 PMC 바로가기
Reactive Centre Loop Mutagenesis of SerpinB3 to Target TMPRSS2 and Furin: Inhibition of SARS-CoV-2 Cell Entry and ReplicationArticle Published on 2022-10-192022-11-15 Journal: International Journal of Molecular Sciences [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] Alpha Altered Anti-viral Anti-viral therapy Antiviral assays biological molecules cathepsin L Cell cell entry cellular proteases cleaved designer serpin effective enzyme expressing facilitate furin generate host cell protease implicated in vitro infection with SARS-CoV-2 inhibit inhibition inhibitor inhibitors inhibitory inhibitory activity loop membrane fusion Mutagenesis P681R predicted produced protease Protein purified rate constant reactive Recombinant protein S protein cleavage S1/S2 cleavage site SARS-CoV-2 SARS-CoV-2 replication SARS-CoV-2 viral replication SARS-CoV-2 virus serine 2 serine protease inhibitor SerpinB3 shown specificity suppress target the Spike the spike protein TMPRSS2 transmembrane variant Vero E6 cell [DOI] 10.3390/ijms232012522 PMC 바로가기
Spectral and theoretical study of SARS-CoV-2 ORF10 protein interaction with endogenous and exogenous macroheterocyclic compoundsSARS-CoV-2 ORF10 단백질과 내인성 및 외인성 거대 이종고리 화합물 상호작용에 대한 스펙트럼 및 이론 연구Article Published on 2022-10-152022-09-11 Journal: Spectrochimica acta. Part A, Molecular and biomole [Category] COVID19(2023년), SARS, 치료제, [키워드] Accessory accessory protein accessory proteins Alpha Antiviral approved bind carried caused cells Chlorin choice complexes Compound coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 criteria drug effective drug effective drugs energy Escherichia coli expressed Features form health problem highest affinity Host immune response in silico infected patient infected patients inhibitor inhibitory initial Interaction macrocycle matter modulate molecular docking MOST ORF10 ORF10 protein Orientation pandemic Pathogenesis Porphyrin Pragmatic precedence Protein protoporphyrin public health recommendation resource SARS-CoV-2 SARS-CoV-2 accessory proteins SARS-CoV-2 coronavirus silico studies Spectral Spectroscopy Spectroscopy. Spread Stage suggested Taking the disease the SARS-CoV-2 Treatment treatment of COVID-19 virucidal virus [DOI] 10.1016/j.saa.2022.121403 PMC 바로가기 [Article Type] Article
LRRC15 inhibits SARS-CoV-2 cellular entry in transArticle Published on 2022-10-132022-11-16 Journal: PLoS Biology [Category] COVID19(2023년), SARS, 치료기술, [키워드] ACE2 Activation angiotensin-converting enzyme 2 bind block Cell cell type cellular entry coexpressed coronavirus 2 COVID-19 patients CRISPR dataset entry receptor expression Factor fibroblast human lung Infection inhibit inhibiting inhibitory LRRC15 lung moderate physiological protective role RBD regulate respiratory reveal SARS-CoV-2 SARS-CoV-2 entry Single-cell RNA sequencing Spike protein the receptor-binding domain viral entry [DOI] 10.1371/journal.pbio.3001805 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 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
In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main ProteaseArticle Published on 2022-10-072022-11-15 Journal: Journal of molecular modeling [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] Activation acute respiratory syndrome ADME ADMET antiviral drug betweenness Betweenness centrality binding site catalytic dyad Clinical treatment complex coronavirus COVID-19 database docking experiments drugs enzyme highest in silico In silico methods in vitro in vivo inhibitor inhibitory inhibitory effect Ligand molecular docking molecular dynamics MPro mutated variant natural natural products network network analysis offer pandemic Population potential mechanism predicted product protease Protein reported residue responsible risk SARS-CoV-2 severe COVID-19 Spread the SARS-CoV-2 trajectory Vaccine Vaccines viral replication WHO World Health Organization [DOI] 10.1007/s00894-022-05334-1 PMC 바로가기
Interactions of the protease inhibitor, ritonavir, with common anesthesia drugsArticle Published on 2022-10-012022-11-15 Journal: Paediatric anaesthesia [Category] 치료제, [키워드] administration adverse effect affected Altered Anesthesia Antiviral antiviral drug approach Bioavailability change changes in children clearance Combination Comorbidities Concentration COVID-19 dependent on drug drug clearance drug dose Drug interactions early treatment enzyme example fentanyl increase in inhibited inhibitor inhibitory intrinsic management metabolic pathways pathway Patient Pharmacodynamics pharmacokinetic plasma concentration propofol Protease inhibitor remifentanil responsible Ritonavir subject Variability [DOI] 10.1111/pan.14529 PMC 바로가기