Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
Identifieur interne : 002145 ( PubMed/Corpus ); précédent : 002144; suivant : 002146Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
Auteurs : Syaulan Yang ; Shu-Jen Chen ; Min-Feng Hsu ; Jen-Dar Wu ; Chien-Te K. Tseng ; Yu-Fan Liu ; Hua-Chien Chen ; Chun-Wei Kuo ; Chi-Shen Wu ; Li-Wen Chang ; Wen-Chang Chen ; Shao-Ying Liao ; Teng-Yuan Chang ; Hsin-Hui Hung ; Hui-Lin Shr ; Cheng-Yuan Liu ; Yu-An Huang ; Ling-Yin Chang ; Jen-Chi Hsu ; Clarence J. Peters ; Andrew H-J Wang ; Ming-Chu HsuSource :
- Journal of medicinal chemistry [ 0022-2623 ] ; 2006.
English descriptors
- KwdEn :
- Animals, Antiviral Agents (chemical synthesis), Antiviral Agents (chemistry), Antiviral Agents (pharmacology), Carbamates (chemical synthesis), Carbamates (chemistry), Carbamates (pharmacology), Cell Line, Chlorocebus aethiops, Coronavirus 229E, Human (drug effects), Crystallography, X-Ray, Cysteine Endopeptidases (chemistry), Dipeptides (chemical synthesis), Dipeptides (chemistry), Dipeptides (pharmacology), Drug Stability, Humans, Hydrogen Bonding, Hydrophobic and Hydrophilic Interactions, Mice, Models, Molecular, Molecular Structure, Rats, SARS Virus (drug effects), Structure-Activity Relationship, Viral Proteins (antagonists & inhibitors), Viral Proteins (chemistry), Virus Replication (drug effects).
- MESH :
- chemical , antagonists & inhibitors : Viral Proteins.
- chemical , chemical synthesis : Antiviral Agents, Carbamates, Dipeptides.
- chemical , chemistry : Antiviral Agents, Carbamates, Cysteine Endopeptidases, Dipeptides, Viral Proteins.
- chemical , pharmacology : Antiviral Agents, Carbamates, Dipeptides.
- drug effects : Coronavirus 229E, Human, SARS Virus, Virus Replication.
- Animals, Cell Line, Chlorocebus aethiops, Crystallography, X-Ray, Drug Stability, Humans, Hydrogen Bonding, Hydrophobic and Hydrophilic Interactions, Mice, Models, Molecular, Molecular Structure, Rats, Structure-Activity Relationship.
Abstract
A potent SARS coronavirus (CoV) 3CL protease inhibitor (TG-0205221, Ki = 53 nM) has been developed. TG-0205221 showed remarkable activity against SARS CoV and human coronavirus (HCoV) 229E replications by reducing the viral titer by 4.7 log (at 5 microM) for SARS CoV and 5.2 log (at 1.25 microM) for HCoV 229E. The crystal structure of TG-0205221 (resolution = 1.93 A) has revealed a unique binding mode comprising a covalent bond, hydrogen bonds, and numerous hydrophobic interactions. Structural comparisons between TG-0205221 and a natural peptide substrate were also discussed. This information may be applied toward the design of other 3CL protease inhibitors.
DOI: 10.1021/jm0603926
PubMed: 16884309
Links to Exploration step
pubmed:16884309Le document en format XML
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<front><div type="abstract" xml:lang="en">A potent SARS coronavirus (CoV) 3CL protease inhibitor (TG-0205221, Ki = 53 nM) has been developed. TG-0205221 showed remarkable activity against SARS CoV and human coronavirus (HCoV) 229E replications by reducing the viral titer by 4.7 log (at 5 microM) for SARS CoV and 5.2 log (at 1.25 microM) for HCoV 229E. The crystal structure of TG-0205221 (resolution = 1.93 A) has revealed a unique binding mode comprising a covalent bond, hydrogen bonds, and numerous hydrophobic interactions. Structural comparisons between TG-0205221 and a natural peptide substrate were also discussed. This information may be applied toward the design of other 3CL protease inhibitors.</div>
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<Abstract><AbstractText>A potent SARS coronavirus (CoV) 3CL protease inhibitor (TG-0205221, Ki = 53 nM) has been developed. TG-0205221 showed remarkable activity against SARS CoV and human coronavirus (HCoV) 229E replications by reducing the viral titer by 4.7 log (at 5 microM) for SARS CoV and 5.2 log (at 1.25 microM) for HCoV 229E. The crystal structure of TG-0205221 (resolution = 1.93 A) has revealed a unique binding mode comprising a covalent bond, hydrogen bonds, and numerous hydrophobic interactions. Structural comparisons between TG-0205221 and a natural peptide substrate were also discussed. This information may be applied toward the design of other 3CL protease inhibitors.</AbstractText>
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