Exploring the binding mechanism of the main proteinase in SARS-associated coronavirus and its implication to anti-SARS drug design
Identifieur interne : 000219 ( PascalFrancis/Curation ); précédent : 000218; suivant : 000220Exploring the binding mechanism of the main proteinase in SARS-associated coronavirus and its implication to anti-SARS drug design
Auteurs : XUE WU ZHANG [Hong Kong] ; YEE LENG YAP [Hong Kong]Source :
- Bioorganic & medicinal chemistry [ 0968-0896 ] ; 2004.
Descripteurs français
- Pascal (Inist)
- Relation structure activité, Antiviral, Coronavirus, Inhibiteur enzyme, Peptidases, Inhibiteur protease, Syndrome respiratoire aigu sévère, Interaction moléculaire, Fixation biologique, Etude comparative, Virus artérite virale équine, Virus hépatite C, Virus hépatite A, Virus dengue, Complexe enzyme inhibiteur, Aminocétone, Fluor composé organique, Composé benzénique, Cétoacide, Aminoamide.
English descriptors
- KwdEn :
- Aminoamide, Aminoketone, Antiviral, Benzenic compound, Biological fixation, Comparative study, Coronavirus, Dengue virus, Enzyme inhibitor, Equine arteritis virus, Hepatitis A virus, Hepatitis C virus, Inhibitor enzyme complex, Ketoacid, Molecular interaction, Organic fluorine compounds, Peptidases, Protease inhibitor, Severe acute respiratory syndrome, Structure activity relation.
Abstract
The main proteinase of SARS-associated coronavirus (SARS-CoV) plays an important role in viral transcription and replication, and is an attractive target for anti-SARS drug development. The important thing is to understand its binding mechanism with possible ligands. In this study, we investigated possible noncanonical interactions, potential inhibitors, and binding pockets in the main proteinase of SARS-CoV based on its recently determined crystal structure. These findings provide a wide clue to searching for anti-SARS drug. Interestingly, we found that similar structure patterns exist in SARS-CoV main proteinase with Poliovirus 3c Proteinase, Rhinovirus 3c Protease, Nsp4 Proteinase From Equine Arteritis Virus, Hepatitis C Virus Ns3 Protease, Hepatitis A Virus 3c Protease, and Dengue Virus Ns3 Protease. It suggests that the available drugs in these viruses could be used to fight SARS disease.
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Pascal:04-0571083Le document en format XML
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<front><div type="abstract" xml:lang="en">The main proteinase of SARS-associated coronavirus (SARS-CoV) plays an important role in viral transcription and replication, and is an attractive target for anti-SARS drug development. The important thing is to understand its binding mechanism with possible ligands. In this study, we investigated possible noncanonical interactions, potential inhibitors, and binding pockets in the main proteinase of SARS-CoV based on its recently determined crystal structure. These findings provide a wide clue to searching for anti-SARS drug. Interestingly, we found that similar structure patterns exist in SARS-CoV main proteinase with Poliovirus 3c Proteinase, Rhinovirus 3c Protease, Nsp4 Proteinase From Equine Arteritis Virus, Hepatitis C Virus Ns3 Protease, Hepatitis A Virus 3c Protease, and Dengue Virus Ns3 Protease. It suggests that the available drugs in these viruses could be used to fight SARS disease.</div>
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<fC02 i1="01" i2="X"><s0>002B02S05</s0>
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<s5>01</s5>
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<s5>01</s5>
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<fC03 i1="01" i2="X" l="SPA"><s0>Relación estructura actividad</s0>
<s5>01</s5>
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<s2>NW</s2>
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<s2>NW</s2>
<s5>03</s5>
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<s2>NW</s2>
<s5>03</s5>
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<s5>04</s5>
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<s5>04</s5>
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<fC03 i1="04" i2="X" l="SPA"><s0>Inhibidor enzima</s0>
<s5>04</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Peptidases</s0>
<s2>FE</s2>
<s5>05</s5>
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<fC03 i1="05" i2="X" l="ENG"><s0>Peptidases</s0>
<s2>FE</s2>
<s5>05</s5>
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<fC03 i1="05" i2="X" l="SPA"><s0>Peptidases</s0>
<s2>FE</s2>
<s5>05</s5>
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<fC03 i1="06" i2="X" l="FRE"><s0>Inhibiteur protease</s0>
<s2>FR</s2>
<s5>06</s5>
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<fC03 i1="06" i2="X" l="ENG"><s0>Protease inhibitor</s0>
<s2>FR</s2>
<s5>06</s5>
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<fC03 i1="06" i2="X" l="SPA"><s0>Inhibidor proteasa</s0>
<s2>FR</s2>
<s5>06</s5>
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<fC03 i1="07" i2="X" l="FRE"><s0>Syndrome respiratoire aigu sévère</s0>
<s2>NM</s2>
<s5>07</s5>
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<fC03 i1="07" i2="X" l="ENG"><s0>Severe acute respiratory syndrome</s0>
<s2>NM</s2>
<s5>07</s5>
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<fC03 i1="07" i2="X" l="SPA"><s0>Síndrome respiratorio agudo severo</s0>
<s2>NM</s2>
<s5>07</s5>
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<s5>09</s5>
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<s5>10</s5>
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<s5>12</s5>
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<s5>13</s5>
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<s2>NW</s2>
<s5>13</s5>
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<fC03 i1="11" i2="X" l="SPA"><s0>Equine arteritis virus</s0>
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<s5>13</s5>
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<s2>NW</s2>
<s5>14</s5>
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<fC03 i1="12" i2="X" l="ENG"><s0>Hepatitis C virus</s0>
<s2>NW</s2>
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<fC03 i1="12" i2="X" l="SPA"><s0>Hepatitis C virus</s0>
<s2>NW</s2>
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<fC03 i1="13" i2="X" l="ENG"><s0>Hepatitis A virus</s0>
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<fC03 i1="13" i2="X" l="SPA"><s0>Hepatitis A virus</s0>
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<fC03 i1="14" i2="X" l="ENG"><s0>Dengue virus</s0>
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<s5>21</s5>
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<fC03 i1="19" i2="X" l="ENG"><s0>Ketoacid</s0>
<s5>21</s5>
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<s2>NW</s2>
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<fC07 i1="01" i2="X" l="SPA"><s0>Coronaviridae</s0>
<s2>NW</s2>
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<s2>NW</s2>
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<s2>FE</s2>
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<s2>FE</s2>
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<s2>FE</s2>
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<fC07 i1="05" i2="X" l="SPA"><s0>Enzima</s0>
<s2>FE</s2>
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<fC07 i1="06" i2="X" l="FRE"><s0>Virose</s0>
<s2>NM</s2>
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<fC07 i1="06" i2="X" l="ENG"><s0>Viral disease</s0>
<s2>NM</s2>
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<fC07 i1="06" i2="X" l="SPA"><s0>Virosis</s0>
<s2>NM</s2>
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<fC07 i1="07" i2="X" l="FRE"><s0>Infection</s0>
<s2>NM</s2>
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<fC07 i1="07" i2="X" l="ENG"><s0>Infection</s0>
<s2>NM</s2>
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<fC07 i1="07" i2="X" l="SPA"><s0>Infección</s0>
<s2>NM</s2>
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<s2>NW</s2>
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<fC07 i1="08" i2="X" l="ENG"><s0>Arterivirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="08" i2="X" l="SPA"><s0>Arterivirus</s0>
<s2>NW</s2>
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<fC07 i1="09" i2="X" l="FRE"><s0>Arteriviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="09" i2="X" l="ENG"><s0>Arteriviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="09" i2="X" l="SPA"><s0>Arteriviridae</s0>
<s2>NW</s2>
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<fC07 i1="10" i2="X" l="FRE"><s0>Hepacivirus</s0>
<s2>NW</s2>
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<fC07 i1="10" i2="X" l="ENG"><s0>Hepacivirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="10" i2="X" l="SPA"><s0>Hepacivirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="11" i2="X" l="FRE"><s0>Flaviviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="11" i2="X" l="ENG"><s0>Flaviviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="11" i2="X" l="SPA"><s0>Flaviviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="12" i2="X" l="FRE"><s0>Hepatovirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="12" i2="X" l="ENG"><s0>Hepatovirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="12" i2="X" l="SPA"><s0>Hepatovirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="13" i2="X" l="FRE"><s0>Picornaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="13" i2="X" l="ENG"><s0>Picornaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="13" i2="X" l="SPA"><s0>Picornaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="14" i2="X" l="FRE"><s0>Virus groupe dengue</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="14" i2="X" l="ENG"><s0>Dengue group virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="14" i2="X" l="SPA"><s0>Dengue group virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="15" i2="X" l="FRE"><s0>Flavivirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="15" i2="X" l="ENG"><s0>Flavivirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="15" i2="X" l="SPA"><s0>Flavivirus</s0>
<s2>NW</s2>
</fC07>
<fN21><s1>327</s1>
</fN21>
<fN44 i1="01"><s1>PSI</s1>
</fN44>
<fN82><s1>PSI</s1>
</fN82>
</pA>
</standard>
</inist>
</record>
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