A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening.
Identifieur interne : 006109 ( Main/Exploration ); précédent : 006108; suivant : 006110A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening.
Auteurs : Bin Xiong [République populaire de Chine] ; Chun-Shan Gui ; Xiao-Ying Xu ; Cheng Luo ; Jing Chen ; Hai-Bin Luo ; Li-Li Chen ; Guo-Wei Li ; Tao Sun ; Chang-Ying Yu ; Li-Duo Yue ; Wen-Hu Duan ; Jing-Kang Shen ; Lei Qin ; Tie-Liu Shi ; Yi-Xue Li ; Kai-Xian Chen ; Xiao-Min Luo ; Xu Shen ; Jian-Hua Shen ; Hua-Liang JiangSource :
- Acta pharmacologica Sinica [ 1671-4083 ] ; 2003.
Descripteurs français
- KwdFr :
- Alignement de séquences, Biologie informatique, Conception de médicament, Conformation des protéines, Cristallographie aux rayons X, Cysteine endopeptidases (), Cysteine endopeptidases (génétique), Humains, Inhibiteurs de la cystéine protéinase (isolement et purification), Modèles moléculaires, Similitude de séquences d'acides aminés, Similitude structurale de protéines, Structure moléculaire, Syndrome respiratoire aigu sévère (virologie), Virus de la gastroentérite transmissible (), Virus du SRAS (), Virus du SRAS (isolement et purification).
- MESH :
- génétique : Cysteine endopeptidases.
- isolement et purification : Inhibiteurs de la cystéine protéinase, Virus du SRAS.
- virologie : Syndrome respiratoire aigu sévère.
- Alignement de séquences, Biologie informatique, Conception de médicament, Conformation des protéines, Cristallographie aux rayons X, Cysteine endopeptidases, Humains, Modèles moléculaires, Similitude de séquences d'acides aminés, Similitude structurale de protéines, Structure moléculaire, Virus de la gastroentérite transmissible, Virus du SRAS.
English descriptors
- KwdEn :
- Computational Biology, Crystallography, X-Ray, Cysteine Endopeptidases (chemistry), Cysteine Endopeptidases (genetics), Cysteine Proteinase Inhibitors (isolation & purification), Drug Design, Humans, Models, Molecular, Molecular Structure, Protein Conformation, SARS Virus (chemistry), SARS Virus (isolation & purification), Sequence Alignment, Sequence Homology, Amino Acid, Severe Acute Respiratory Syndrome (virology), Structural Homology, Protein, Transmissible gastroenteritis virus (chemistry).
- MESH :
- chemical , chemistry : Cysteine Endopeptidases.
- chemical , genetics : Cysteine Endopeptidases.
- chemical , isolation & purification : Cysteine Proteinase Inhibitors.
- chemistry : SARS Virus, Transmissible gastroenteritis virus.
- isolation & purification : SARS Virus.
- virology : Severe Acute Respiratory Syndrome.
- Computational Biology, Crystallography, X-Ray, Drug Design, Humans, Models, Molecular, Molecular Structure, Protein Conformation, Sequence Alignment, Sequence Homology, Amino Acid, Structural Homology, Protein.
Abstract
To constructed a three-dimensional (3D) model for the 3C like (3CL) proteinase of SARS coronavirus (SARS-CoV), and to design inhibitors of the 3CL proteinase based on the 3D model.
PubMed: 12791174
Affiliations:
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Le document en format XML
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uniqKey="Luo X" first="Xiao-Min" last="Luo">Xiao-Min Luo</name></author><author><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name></author><author><name sortKey="Shen, Jian Hua" sort="Shen, Jian Hua" uniqKey="Shen J" first="Jian-Hua" last="Shen">Jian-Hua Shen</name></author><author><name sortKey="Jiang, Hua Liang" sort="Jiang, Hua Liang" uniqKey="Jiang H" first="Hua-Liang" last="Jiang">Hua-Liang Jiang</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2003">2003</date><idno type="RBID">pubmed:12791174</idno><idno type="pmid">12791174</idno><idno type="wicri:Area/PubMed/Corpus">003349</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">003349</idno><idno type="wicri:Area/PubMed/Curation">003349</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">003349</idno><idno type="wicri:Area/PubMed/Checkpoint">003344</idno><idno 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China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Gui, Chun Shan" sort="Gui, Chun Shan" uniqKey="Gui C" first="Chun-Shan" last="Gui">Chun-Shan Gui</name></author><author><name sortKey="Xu, Xiao Ying" sort="Xu, Xiao Ying" uniqKey="Xu X" first="Xiao-Ying" last="Xu">Xiao-Ying Xu</name></author><author><name sortKey="Luo, Cheng" sort="Luo, Cheng" uniqKey="Luo C" first="Cheng" last="Luo">Cheng Luo</name></author><author><name sortKey="Chen, Jing" sort="Chen, Jing" uniqKey="Chen J" first="Jing" last="Chen">Jing Chen</name></author><author><name sortKey="Luo, Hai Bin" sort="Luo, Hai Bin" uniqKey="Luo H" first="Hai-Bin" last="Luo">Hai-Bin Luo</name></author><author><name sortKey="Chen, Li Li" sort="Chen, Li Li" uniqKey="Chen L" first="Li-Li" last="Chen">Li-Li Chen</name></author><author><name sortKey="Li, Guo Wei" sort="Li, Guo Wei" uniqKey="Li G" first="Guo-Wei" last="Li">Guo-Wei Li</name></author><author><name sortKey="Sun, Tao" sort="Sun, Tao" uniqKey="Sun T" first="Tao" last="Sun">Tao Sun</name></author><author><name sortKey="Yu, Chang Ying" sort="Yu, Chang Ying" uniqKey="Yu C" first="Chang-Ying" last="Yu">Chang-Ying Yu</name></author><author><name sortKey="Yue, Li Duo" sort="Yue, Li Duo" uniqKey="Yue L" first="Li-Duo" last="Yue">Li-Duo Yue</name></author><author><name sortKey="Duan, Wen Hu" sort="Duan, Wen Hu" uniqKey="Duan W" first="Wen-Hu" last="Duan">Wen-Hu Duan</name></author><author><name sortKey="Shen, Jing Kang" sort="Shen, Jing Kang" uniqKey="Shen J" first="Jing-Kang" last="Shen">Jing-Kang Shen</name></author><author><name sortKey="Qin, Lei" sort="Qin, Lei" uniqKey="Qin L" first="Lei" last="Qin">Lei Qin</name></author><author><name sortKey="Shi, Tie Liu" sort="Shi, Tie Liu" uniqKey="Shi T" first="Tie-Liu" last="Shi">Tie-Liu Shi</name></author><author><name sortKey="Li, Yi Xue" sort="Li, Yi Xue" uniqKey="Li Y" first="Yi-Xue" last="Li">Yi-Xue Li</name></author><author><name sortKey="Chen, Kai Xian" sort="Chen, Kai Xian" uniqKey="Chen K" first="Kai-Xian" last="Chen">Kai-Xian Chen</name></author><author><name sortKey="Luo, Xiao Min" sort="Luo, Xiao Min" uniqKey="Luo X" first="Xiao-Min" last="Luo">Xiao-Min Luo</name></author><author><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name></author><author><name sortKey="Shen, Jian Hua" sort="Shen, Jian Hua" uniqKey="Shen J" first="Jian-Hua" last="Shen">Jian-Hua Shen</name></author><author><name sortKey="Jiang, Hua Liang" sort="Jiang, Hua Liang" uniqKey="Jiang H" first="Hua-Liang" last="Jiang">Hua-Liang Jiang</name></author></analytic><series><title level="j">Acta pharmacologica Sinica</title><idno type="ISSN">1671-4083</idno><imprint><date when="2003" type="published">2003</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Computational Biology</term><term>Crystallography, X-Ray</term><term>Cysteine Endopeptidases (chemistry)</term><term>Cysteine Endopeptidases (genetics)</term><term>Cysteine Proteinase Inhibitors (isolation & purification)</term><term>Drug Design</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Structure</term><term>Protein Conformation</term><term>SARS Virus (chemistry)</term><term>SARS Virus (isolation & purification)</term><term>Sequence Alignment</term><term>Sequence Homology, Amino Acid</term><term>Severe Acute Respiratory Syndrome (virology)</term><term>Structural Homology, Protein</term><term>Transmissible gastroenteritis virus (chemistry)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Alignement de séquences</term><term>Biologie informatique</term><term>Conception de médicament</term><term>Conformation des protéines</term><term>Cristallographie aux rayons X</term><term>Cysteine endopeptidases ()</term><term>Cysteine endopeptidases (génétique)</term><term>Humains</term><term>Inhibiteurs de la cystéine protéinase (isolement et purification)</term><term>Modèles moléculaires</term><term>Similitude de séquences d'acides aminés</term><term>Similitude structurale de protéines</term><term>Structure moléculaire</term><term>Syndrome respiratoire aigu sévère (virologie)</term><term>Virus de la gastroentérite transmissible ()</term><term>Virus du SRAS ()</term><term>Virus du SRAS (isolement et purification)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Cysteine Endopeptidases</term></keywords><keywords scheme="MESH" type="chemical" qualifier="genetics" xml:lang="en"><term>Cysteine Endopeptidases</term></keywords><keywords scheme="MESH" type="chemical" qualifier="isolation & purification" xml:lang="en"><term>Cysteine Proteinase Inhibitors</term></keywords><keywords scheme="MESH" qualifier="chemistry" xml:lang="en"><term>SARS Virus</term><term>Transmissible gastroenteritis virus</term></keywords><keywords scheme="MESH" qualifier="génétique" xml:lang="fr"><term>Cysteine endopeptidases</term></keywords><keywords scheme="MESH" qualifier="isolation & purification" xml:lang="en"><term>SARS Virus</term></keywords><keywords scheme="MESH" qualifier="isolement et purification" xml:lang="fr"><term>Inhibiteurs de la cystéine protéinase</term><term>Virus du SRAS</term></keywords><keywords scheme="MESH" qualifier="virologie" xml:lang="fr"><term>Syndrome respiratoire aigu sévère</term></keywords><keywords scheme="MESH" qualifier="virology" xml:lang="en"><term>Severe Acute Respiratory Syndrome</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Computational Biology</term><term>Crystallography, X-Ray</term><term>Drug Design</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Structure</term><term>Protein Conformation</term><term>Sequence Alignment</term><term>Sequence Homology, Amino Acid</term><term>Structural Homology, Protein</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Alignement de séquences</term><term>Biologie informatique</term><term>Conception de médicament</term><term>Conformation des protéines</term><term>Cristallographie aux rayons X</term><term>Cysteine endopeptidases</term><term>Humains</term><term>Modèles moléculaires</term><term>Similitude de séquences d'acides aminés</term><term>Similitude structurale de protéines</term><term>Structure moléculaire</term><term>Virus de la gastroentérite transmissible</term><term>Virus du SRAS</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">To constructed a three-dimensional (3D) model for the 3C like (3CL) proteinase of SARS coronavirus (SARS-CoV), and to design inhibitors of the 3CL proteinase based on the 3D model.</div></front></TEI><affiliations><list><country><li>République populaire de Chine</li></country></list><tree><noCountry><name sortKey="Chen, Jing" sort="Chen, Jing" uniqKey="Chen J" first="Jing" last="Chen">Jing Chen</name><name sortKey="Chen, Kai Xian" sort="Chen, Kai Xian" uniqKey="Chen K" first="Kai-Xian" last="Chen">Kai-Xian Chen</name><name sortKey="Chen, Li Li" sort="Chen, Li Li" uniqKey="Chen L" first="Li-Li" last="Chen">Li-Li Chen</name><name sortKey="Duan, Wen Hu" sort="Duan, Wen Hu" uniqKey="Duan W" first="Wen-Hu" last="Duan">Wen-Hu Duan</name><name sortKey="Gui, Chun Shan" sort="Gui, Chun Shan" uniqKey="Gui C" first="Chun-Shan" last="Gui">Chun-Shan Gui</name><name sortKey="Jiang, Hua Liang" sort="Jiang, Hua Liang" uniqKey="Jiang H" first="Hua-Liang" last="Jiang">Hua-Liang Jiang</name><name sortKey="Li, Guo Wei" sort="Li, Guo Wei" uniqKey="Li G" first="Guo-Wei" last="Li">Guo-Wei Li</name><name sortKey="Li, Yi Xue" sort="Li, Yi Xue" uniqKey="Li Y" first="Yi-Xue" last="Li">Yi-Xue Li</name><name sortKey="Luo, Cheng" sort="Luo, Cheng" uniqKey="Luo C" first="Cheng" last="Luo">Cheng Luo</name><name sortKey="Luo, Hai Bin" sort="Luo, Hai Bin" uniqKey="Luo H" first="Hai-Bin" last="Luo">Hai-Bin Luo</name><name sortKey="Luo, Xiao Min" sort="Luo, Xiao Min" uniqKey="Luo X" first="Xiao-Min" last="Luo">Xiao-Min Luo</name><name sortKey="Qin, Lei" sort="Qin, Lei" uniqKey="Qin L" first="Lei" last="Qin">Lei Qin</name><name sortKey="Shen, Jian Hua" sort="Shen, Jian Hua" uniqKey="Shen J" first="Jian-Hua" last="Shen">Jian-Hua Shen</name><name sortKey="Shen, Jing Kang" sort="Shen, Jing Kang" uniqKey="Shen J" first="Jing-Kang" last="Shen">Jing-Kang Shen</name><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name><name sortKey="Shi, Tie Liu" sort="Shi, Tie Liu" uniqKey="Shi T" first="Tie-Liu" last="Shi">Tie-Liu Shi</name><name sortKey="Sun, Tao" sort="Sun, Tao" uniqKey="Sun T" first="Tao" last="Sun">Tao Sun</name><name sortKey="Xu, Xiao Ying" sort="Xu, Xiao Ying" uniqKey="Xu X" first="Xiao-Ying" last="Xu">Xiao-Ying Xu</name><name sortKey="Yu, Chang Ying" sort="Yu, Chang Ying" uniqKey="Yu C" first="Chang-Ying" last="Yu">Chang-Ying Yu</name><name sortKey="Yue, Li Duo" sort="Yue, Li Duo" uniqKey="Yue L" first="Li-Duo" last="Yue">Li-Duo Yue</name></noCountry><country name="République populaire de Chine"><noRegion><name sortKey="Xiong, Bin" sort="Xiong, Bin" uniqKey="Xiong B" first="Bin" last="Xiong">Bin Xiong</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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