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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 : 000220

Exploring 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 :

RBID : Pascal:04-0571083

Descripteurs français

English descriptors

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.
pA  
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A03   1    @0 Bioorg. med. chem.
A05       @2 12
A06       @2 9
A08 01  1  ENG  @1 Exploring the binding mechanism of the main proteinase in SARS-associated coronavirus and its implication to anti-SARS drug design
A11 01  1    @1 XUE WU ZHANG
A11 02  1    @1 YEE LENG YAP
A14 01      @1 HKU-Pasteur Research Center, Bioinformatics, 8 Sassoon Road @3 HKG @Z 1 aut. @Z 2 aut.
A20       @1 2219-2223
A21       @1 2004
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A43 01      @1 INIST @2 26564 @5 354000117106140210
A44       @0 0000 @1 © 2004 INIST-CNRS. All rights reserved.
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C01 01    ENG  @0 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.
C02 01  X    @0 002B02S05
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C03 01  X  ENG  @0 Structure activity relation @5 01
C03 01  X  SPA  @0 Relación estructura actividad @5 01
C03 02  X  FRE  @0 Antiviral @5 02
C03 02  X  ENG  @0 Antiviral @5 02
C03 02  X  SPA  @0 Antiviral @5 02
C03 03  X  FRE  @0 Coronavirus @2 NW @5 03
C03 03  X  ENG  @0 Coronavirus @2 NW @5 03
C03 03  X  SPA  @0 Coronavirus @2 NW @5 03
C03 04  X  FRE  @0 Inhibiteur enzyme @5 04
C03 04  X  ENG  @0 Enzyme inhibitor @5 04
C03 04  X  SPA  @0 Inhibidor enzima @5 04
C03 05  X  FRE  @0 Peptidases @2 FE @5 05
C03 05  X  ENG  @0 Peptidases @2 FE @5 05
C03 05  X  SPA  @0 Peptidases @2 FE @5 05
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C03 13  X  SPA  @0 Hepatitis A virus @2 NW @5 15
C03 14  X  FRE  @0 Virus dengue @2 NW @5 16
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C03 15  X  FRE  @0 Complexe enzyme inhibiteur @5 17
C03 15  X  ENG  @0 Inhibitor enzyme complex @5 17
C03 15  X  SPA  @0 Complejo enzima inhibidor @5 17
C03 16  X  FRE  @0 Aminocétone @5 18
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C03 18  X  SPA  @0 Compuesto bencénico @5 20
C03 19  X  FRE  @0 Cétoacide @5 21
C03 19  X  ENG  @0 Ketoacid @5 21
C03 19  X  SPA  @0 Cetoácido @5 21
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C03 20  X  ENG  @0 Aminoamide @5 22
C03 20  X  SPA  @0 Aminoamida @5 22
C07 01  X  FRE  @0 Coronaviridae @2 NW
C07 01  X  ENG  @0 Coronaviridae @2 NW
C07 01  X  SPA  @0 Coronaviridae @2 NW
C07 02  X  FRE  @0 Nidovirales @2 NW
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C07 03  X  FRE  @0 Virus @2 NW
C07 03  X  ENG  @0 Virus @2 NW
C07 03  X  SPA  @0 Virus @2 NW
C07 04  X  FRE  @0 Hydrolases @2 FE
C07 04  X  ENG  @0 Hydrolases @2 FE
C07 04  X  SPA  @0 Hydrolases @2 FE
C07 05  X  FRE  @0 Enzyme @2 FE
C07 05  X  ENG  @0 Enzyme @2 FE
C07 05  X  SPA  @0 Enzima @2 FE
C07 06  X  FRE  @0 Virose @2 NM
C07 06  X  ENG  @0 Viral disease @2 NM
C07 06  X  SPA  @0 Virosis @2 NM
C07 07  X  FRE  @0 Infection @2 NM
C07 07  X  ENG  @0 Infection @2 NM
C07 07  X  SPA  @0 Infección @2 NM
C07 08  X  FRE  @0 Arterivirus @2 NW
C07 08  X  ENG  @0 Arterivirus @2 NW
C07 08  X  SPA  @0 Arterivirus @2 NW
C07 09  X  FRE  @0 Arteriviridae @2 NW
C07 09  X  ENG  @0 Arteriviridae @2 NW
C07 09  X  SPA  @0 Arteriviridae @2 NW
C07 10  X  FRE  @0 Hepacivirus @2 NW
C07 10  X  ENG  @0 Hepacivirus @2 NW
C07 10  X  SPA  @0 Hepacivirus @2 NW
C07 11  X  FRE  @0 Flaviviridae @2 NW
C07 11  X  ENG  @0 Flaviviridae @2 NW
C07 11  X  SPA  @0 Flaviviridae @2 NW
C07 12  X  FRE  @0 Hepatovirus @2 NW
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C07 12  X  SPA  @0 Hepatovirus @2 NW
C07 13  X  FRE  @0 Picornaviridae @2 NW
C07 13  X  ENG  @0 Picornaviridae @2 NW
C07 13  X  SPA  @0 Picornaviridae @2 NW
C07 14  X  FRE  @0 Virus groupe dengue @2 NW
C07 14  X  ENG  @0 Dengue group virus @2 NW
C07 14  X  SPA  @0 Dengue group virus @2 NW
C07 15  X  FRE  @0 Flavivirus @2 NW
C07 15  X  ENG  @0 Flavivirus @2 NW
C07 15  X  SPA  @0 Flavivirus @2 NW
N21       @1 327
N44 01      @1 PSI
N82       @1 PSI

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Pascal:04-0571083

Le document en format XML

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<s0>Estudio comparativo</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE">
<s0>Virus artérite virale équine</s0>
<s2>NW</s2>
<s5>13</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG">
<s0>Equine arteritis virus</s0>
<s2>NW</s2>
<s5>13</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA">
<s0>Equine arteritis virus</s0>
<s2>NW</s2>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE">
<s0>Virus hépatite C</s0>
<s2>NW</s2>
<s5>14</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG">
<s0>Hepatitis C virus</s0>
<s2>NW</s2>
<s5>14</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA">
<s0>Hepatitis C virus</s0>
<s2>NW</s2>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="X" l="FRE">
<s0>Virus hépatite A</s0>
<s2>NW</s2>
<s5>15</s5>
</fC03>
<fC03 i1="13" i2="X" l="ENG">
<s0>Hepatitis A virus</s0>
<s2>NW</s2>
<s5>15</s5>
</fC03>
<fC03 i1="13" i2="X" l="SPA">
<s0>Hepatitis A virus</s0>
<s2>NW</s2>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE">
<s0>Virus dengue</s0>
<s2>NW</s2>
<s5>16</s5>
</fC03>
<fC03 i1="14" i2="X" l="ENG">
<s0>Dengue virus</s0>
<s2>NW</s2>
<s5>16</s5>
</fC03>
<fC03 i1="14" i2="X" l="SPA">
<s0>Dengue virus</s0>
<s2>NW</s2>
<s5>16</s5>
</fC03>
<fC03 i1="15" i2="X" l="FRE">
<s0>Complexe enzyme inhibiteur</s0>
<s5>17</s5>
</fC03>
<fC03 i1="15" i2="X" l="ENG">
<s0>Inhibitor enzyme complex</s0>
<s5>17</s5>
</fC03>
<fC03 i1="15" i2="X" l="SPA">
<s0>Complejo enzima inhibidor</s0>
<s5>17</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE">
<s0>Aminocétone</s0>
<s5>18</s5>
</fC03>
<fC03 i1="16" i2="X" l="ENG">
<s0>Aminoketone</s0>
<s5>18</s5>
</fC03>
<fC03 i1="16" i2="X" l="SPA">
<s0>Aminocetona</s0>
<s5>18</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE">
<s0>Fluor composé organique</s0>
<s5>19</s5>
</fC03>
<fC03 i1="17" i2="3" l="ENG">
<s0>Organic fluorine compounds</s0>
<s5>19</s5>
</fC03>
<fC03 i1="18" i2="X" l="FRE">
<s0>Composé benzénique</s0>
<s5>20</s5>
</fC03>
<fC03 i1="18" i2="X" l="ENG">
<s0>Benzenic compound</s0>
<s5>20</s5>
</fC03>
<fC03 i1="18" i2="X" l="SPA">
<s0>Compuesto bencénico</s0>
<s5>20</s5>
</fC03>
<fC03 i1="19" i2="X" l="FRE">
<s0>Cétoacide</s0>
<s5>21</s5>
</fC03>
<fC03 i1="19" i2="X" l="ENG">
<s0>Ketoacid</s0>
<s5>21</s5>
</fC03>
<fC03 i1="19" i2="X" l="SPA">
<s0>Cetoácido</s0>
<s5>21</s5>
</fC03>
<fC03 i1="20" i2="X" l="FRE">
<s0>Aminoamide</s0>
<s5>22</s5>
</fC03>
<fC03 i1="20" i2="X" l="ENG">
<s0>Aminoamide</s0>
<s5>22</s5>
</fC03>
<fC03 i1="20" i2="X" l="SPA">
<s0>Aminoamida</s0>
<s5>22</s5>
</fC03>
<fC07 i1="01" i2="X" l="FRE">
<s0>Coronaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="01" i2="X" l="ENG">
<s0>Coronaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="01" i2="X" l="SPA">
<s0>Coronaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="02" i2="X" l="FRE">
<s0>Nidovirales</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="02" i2="X" l="ENG">
<s0>Nidovirales</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="02" i2="X" l="SPA">
<s0>Nidovirales</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="03" i2="X" l="FRE">
<s0>Virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="03" i2="X" l="ENG">
<s0>Virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="03" i2="X" l="SPA">
<s0>Virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="04" i2="X" l="FRE">
<s0>Hydrolases</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="04" i2="X" l="ENG">
<s0>Hydrolases</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="04" i2="X" l="SPA">
<s0>Hydrolases</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="05" i2="X" l="FRE">
<s0>Enzyme</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="05" i2="X" l="ENG">
<s0>Enzyme</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="05" i2="X" l="SPA">
<s0>Enzima</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="06" i2="X" l="FRE">
<s0>Virose</s0>
<s2>NM</s2>
</fC07>
<fC07 i1="06" i2="X" l="ENG">
<s0>Viral disease</s0>
<s2>NM</s2>
</fC07>
<fC07 i1="06" i2="X" l="SPA">
<s0>Virosis</s0>
<s2>NM</s2>
</fC07>
<fC07 i1="07" i2="X" l="FRE">
<s0>Infection</s0>
<s2>NM</s2>
</fC07>
<fC07 i1="07" i2="X" l="ENG">
<s0>Infection</s0>
<s2>NM</s2>
</fC07>
<fC07 i1="07" i2="X" l="SPA">
<s0>Infección</s0>
<s2>NM</s2>
</fC07>
<fC07 i1="08" i2="X" l="FRE">
<s0>Arterivirus</s0>
<s2>NW</s2>
</fC07>
<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>
</fC07>
<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>
</fC07>
<fC07 i1="10" i2="X" l="FRE">
<s0>Hepacivirus</s0>
<s2>NW</s2>
</fC07>
<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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   |wiki=    Sante
   |area=    SrasV1
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   |texte=   Exploring the binding mechanism of the main proteinase in SARS-associated coronavirus and its implication to anti-SARS drug design
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