New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approachSARS-CoV-2 주요 프로테아제의 촉매 메커니즘에 대한 새로운 통찰력: ONIOM QM/MM 접근법Article Published on 2022-06-012022-09-11 Journal: Molecular diversity [Category] COVID19(2023년), SARS, 치료제, [키워드] antiviral drug target approach calculated catalysis catalytic Catalytic mechanism characterized COVID-19 COVID-19 pandemic described drug design enzyme free energy Gibbs free energy hydrolysis inhibitor involved kinetic data M pro main protease mechanism methodology New protease QM/MM reactant Replication residues SARS-CoV-2 SARS-CoV-2 virus Structure structures the SARS-CoV-2 the SARS-CoV-2 virus thioester treated virus [DOI] 10.1007/s11030-021-10259-7 PMC 바로가기 [Article Type] Article
Structural insights revealed by crystal structure of B38-CAP, an isoenzyme of carboxypeptidase ACE2, the receptor of SARS-CoV-2SARS-CoV-2의 수용체인 카르복시펩티다제 ACE2의 동종효소인 B38-CAP의 결정 구조로 밝혀진 구조적 통찰력Article Published on 2022-05-282022-09-11 Journal: Biochemical and Biophysical Research Communication [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 ACE2 carboxypeptidase acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 anti-SARS-CoV-2 B38-CAP carboxypeptidase catalysis catalytic coincidence complex interplay conformational flexibility coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 crystal structure dimeric domain drugs enzyme feature Host Isoenzyme problem provide provided RAS receptor Renin renin-angiotensin system sACE2 SARS-CoV-2 SARS-CoV-2 variants severe acute respiratory syndrome Coronavirus specificity Structural analysis Treatment treatment of COVID-19 triggered variety weakened worldwide pandemic worsened [DOI] 10.1016/j.bbrc.2022.03.077 PMC 바로가기 [Article Type] Article
An extended conformation of SARS-CoV-2 main protease reveals allosteric targetsSARS-CoV-2 주요 프로테아제의 확장된 형태는 알로스테릭 표적을 나타냅니다Article Published on 2022-04-122022-09-11 Journal: Proceedings of the National Academy of Sciences of [Category] COVID19(2023년), SARS, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 autocleavage binary catalysis catalytic domain conformation conformational change coronavirus develop dimeric dissociate domain inhibit inhibitor M pro maturation monomer monomeric MPro Mpro compact conformation Mpro extended conformation nanobodies nanobody protease required reveal SARS-CoV-2 SARS-CoV-2 main protease severe acute respiratory syndrome Coronavirus target targets viral replication [DOI] 10.1073/pnas.2120913119 PMC 바로가기 [Article Type] Article
Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2중증 급성 호흡기 증후군 코로나바이러스 2에 대한 억제제로서의 타페노퀸 및 그 유도체Article Published on 2022-03-012022-09-11 Journal: The Journal of Biological Chemistry [Category] SARS, 변종, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 affected antimalarial antimalarial drug approved catalysis catalytic caused complex Compound coronavirus COVID-19 crystal structure Cys145 derivative drug drug action Drug administration drug design Drug discovery effective food Food and Drug Administration identify infectibility Infection inhibit inhibited inhibitor library M pro main protease malaria maturation mutant pandemic peptide Plasmodium vivax Prophylaxis protease Protease activity radical cure rising SARS-CoV-2 SARS-CoV-2 main protease screened Serine serine 2 severe acute respiratory syndrome Coronavirus substrates tafenoquine the SARS-CoV-2 therapeutic therapeutic index therapeutic target TMPRSS2 transmembrane Treatment variants viral protease Viral protein virus entry [DOI] 10.1016/j.jbc.2022.101658 PMC 바로가기 [Article Type] Article
Recognition of Divergent Viral Substrates by the SARS-CoV-2 Main ProteaseSARS-CoV-2 주요 프로테아제에 의한 다양한 바이러스 기질의 인식Article Published on 2021-09-102022-09-11 Journal: ACS Infectious Diseases [Category] Coronavirus, SARS, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Amino acid amino acid substitution amino acid substitutions antiviral drug catalysis catalytic changes in cleavage cleavage site cleave conserved coronavirus coronavirus disease Coronaviruses COVID-19 crystal structure crystal structures Efficiency ENhance homologous junction lifecycle M pro MPro NSP8 parameters peptide peptides polyprotein protease Proteases provide Recognition recognize Replication residue SARS-CoV-2 severe acute respiratory syndrome Coronavirus Structure structures substrate the SARS-CoV-2 unique viral nonstructural protein viral nonstructural proteins viral replication Virology Visualization [DOI] 10.1021/acsinfecdis.1c00237 PMC 바로가기 [Article Type] Article
Porous Au@Pt nanoparticles with superior peroxidase-like activity for colorimetric detection of spike protein of SARS-CoV-2Article Published on 2021-07-052023-07-01 Journal: Journal of Colloid and Interface Science [Category] SARS, [키워드] catalysis colorimetric detection mechanism nanozyme SARS-CoV-2 spike protein [DOI] 10.1016/j.jcis.2021.06.170 PMC 바로가기 [Article Type] Article
Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2′- O -methyl transfer by SARS-CoV-2 nsp16MN 2+ SARS-COV-2 NSP16에 의한 효율적인 2'-O- 메틸 전달에 대한 기질을 정렬하는 CAP-0-RNA를 좌표Research Article Published on 2021-06-292022-09-10 Journal: Science Signaling [Category] MERS, SARS, 치료기술, [키워드] absence active site adenosylmethionine aligning Alter backbone binding biochemical capping catalysis coactivator complex conserved Coordinate coronavirus Coronaviruses Degradation Donor drug design efficient ENCODE enzyme Final generate heterodimeric Host host cell host defenses inhibitors innate response insert Interaction mammalian Messenger RNA metal ion metal ions methyl group methyltransferase mRNA nsp10 organism Prevent PROTECT resulting ribonucleotide ribonucleotides RNA RNAs SAM SARS-CoV-2 SARS-CoV-2 genome selective structural evidence Structure structures substrate substrates the SARS-CoV-2 transfer translation triggering unique Viral viral RNAs virus replication X-ray structure [DOI] 10.1126/scisignal.abh2071 PMC 바로가기 [Article Type] Research Article
Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease: Implications for Catalysis and Inhibitor DesignLetter Published on 2021-04-262022-10-31 Journal: The journal of physical chemistry letters [Category] COVID-19, MERS, SARS, [키워드] activated Activation approach catalysis catalytic complex covalent binding Cys145 desolvation ENhance enzyme feasibility His41 identify inhibitor inhibitors proton reduce reduction Region required SARS-CoV-2 SARS-CoV-2 main protease selective significantly thermodynamic Thermodynamics transfer tuning water molecules [DOI] 10.1021/acs.jpclett.1c00425 PMC 바로가기 [Article Type] Letter
Discovery, Synthesis, and Scale-up of Efficient Palladium Catalysts Useful for the Modification of Nucleosides and HeteroarenesReview Published on 2020-04-032024-09-02 Journal: Molecules [Category] 대상포진, [키워드] catalysis cross-coupling reactions heterocycles nucleoside modification palladium water-soluble catalyst [DOI] 10.3390/molecules25071645 PMC 바로가기 [Article Type] Review
Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activationarticle Published on 2019-11-302024-09-01 Journal: Proteins: Structure, Function, and Bioinformatics [Category] 세균성이질, [키워드] ATPase catalysis oligomerization Spa47 T3SS type 3 secretion system Virulence regulation [Article Type] article