Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design
To accelerate the development of drugs against severe acute respiratory syndrome (SARS), we constructed a homology model of the SARS coronavirus main protease using our modeling software, FAMS Ligand&Complex, and released it before the X-ray structure was solved. The X-ray structure showed our m...
Gespeichert in:
Veröffentlicht in: | Chemical & Pharmaceutical Bulletin 2004, Vol.52(5), pp.643-645 |
---|---|
Hauptverfasser: | , , , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
container_end_page | 645 |
---|---|
container_issue | 5 |
container_start_page | 643 |
container_title | Chemical & Pharmaceutical Bulletin |
container_volume | 52 |
creator | Takeda-Shitaka, Mayuko Nojima, Hiroyuki Takaya, Daisuke Kanou, Kazuhiko Iwadate, Mitsuo Umeyama, Hideaki |
description | To accelerate the development of drugs against severe acute respiratory syndrome (SARS), we constructed a homology model of the SARS coronavirus main protease using our modeling software, FAMS Ligand&Complex, and released it before the X-ray structure was solved. The X-ray structure showed our model as accurately predicted and useful for structure based drug design. |
doi_str_mv | 10.1248/cpb.52.643 |
format | Article |
fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_71906969</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>17726821</sourcerecordid><originalsourceid>FETCH-LOGICAL-c714t-28390c4a418cd46abe93970500186c5cfaa515fa15deaed50e5fa08b98c370a33</originalsourceid><addsrcrecordid>eNqFkVGLEzEQxxdRvHr64geQgCAqtE6SzWb3SWrvvBPuUK76HNLsbJuyu-kl2UI_gt_alK134IsvE2bmN_-Z8M-y1xRmlOXlJ7NbzQSbFTl_kk0oz-VUMMafZhMAqKaMF_wsexHCFoAJkPx5dkYF5ZwxOcl-X-51O-hoXU9cQ65d51q3PpBbV2Nr-_WxGDdIlrhHj2RuhojkDsPOeh2dP5Dloa-965C8X87vlh_IwnnX6731QyC32vbkh3cRdUDSOE-W0Q8mDknpSyrV5MIPa3KBwa77l9mzRrcBX53e8-zX18ufi-vpzferb4v5zdRImscpK3kFJtc5LU2dF3qFFa8kCABaFkaYRmtBRaOpqFFjLQBTAuWqKg2XoDk_z96Nujvv7gcMUXU2GGxb3aMbgpK0gqIqqv-CVEpWlIwm8O0_4NYNvk-fUDQvIBmSyyJRH0fKeBeCx0btvO20PygK6uijSj4qwVTyMcFvTpLDqsP6ET0Zl4CrEUhda3Tr-uQWPi42QZoNdlYxgFwBCAZCAacKkvwxCApSVuXx-s-j0jZEvcaHVdpHa1r8e5UYw3H6obPRXmHP_wCDasXJ</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1460347476</pqid></control><display><type>article</type><title>Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design</title><source>J-STAGE Free</source><source>MEDLINE</source><source>EZB-FREE-00999 freely available EZB journals</source><source>Free Full-Text Journals in Chemistry</source><creator>Takeda-Shitaka, Mayuko ; Nojima, Hiroyuki ; Takaya, Daisuke ; Kanou, Kazuhiko ; Iwadate, Mitsuo ; Umeyama, Hideaki</creator><creatorcontrib>Takeda-Shitaka, Mayuko ; Nojima, Hiroyuki ; Takaya, Daisuke ; Kanou, Kazuhiko ; Iwadate, Mitsuo ; Umeyama, Hideaki ; school of Pharmaceutical sciences ; Kitasato University</creatorcontrib><description>To accelerate the development of drugs against severe acute respiratory syndrome (SARS), we constructed a homology model of the SARS coronavirus main protease using our modeling software, FAMS Ligand&Complex, and released it before the X-ray structure was solved. The X-ray structure showed our model as accurately predicted and useful for structure based drug design.</description><identifier>ISSN: 0009-2363</identifier><identifier>EISSN: 1347-5223</identifier><identifier>DOI: 10.1248/cpb.52.643</identifier><identifier>PMID: 15133227</identifier><language>eng</language><publisher>Japan: The Pharmaceutical Society of Japan</publisher><subject>Antiviral Agents - chemical synthesis ; Cysteine Endopeptidases ; Drug Design ; Drug Evaluation, Preclinical - methods ; Endopeptidases - chemistry ; homology modeling ; Models, Molecular ; normal mode analysis ; SARS coronavirus ; SARS Virus - enzymology ; severe acute respiratory syndrome (SARS) ; Structural Homology, Protein ; structure based drug design ; Structure-Activity Relationship ; Viral Proteins - chemistry</subject><ispartof>Chemical and Pharmaceutical Bulletin, 2004, Vol.52(5), pp.643-645</ispartof><rights>2004 The Pharmaceutical Society of Japan</rights><rights>Copyright Japan Science and Technology Agency 2004</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c714t-28390c4a418cd46abe93970500186c5cfaa515fa15deaed50e5fa08b98c370a33</citedby><cites>FETCH-LOGICAL-c714t-28390c4a418cd46abe93970500186c5cfaa515fa15deaed50e5fa08b98c370a33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,1876,27903,27904</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/15133227$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Takeda-Shitaka, Mayuko</creatorcontrib><creatorcontrib>Nojima, Hiroyuki</creatorcontrib><creatorcontrib>Takaya, Daisuke</creatorcontrib><creatorcontrib>Kanou, Kazuhiko</creatorcontrib><creatorcontrib>Iwadate, Mitsuo</creatorcontrib><creatorcontrib>Umeyama, Hideaki</creatorcontrib><creatorcontrib>school of Pharmaceutical sciences</creatorcontrib><creatorcontrib>Kitasato University</creatorcontrib><title>Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design</title><title>Chemical & Pharmaceutical Bulletin</title><addtitle>Chem. Pharm. Bull.</addtitle><description>To accelerate the development of drugs against severe acute respiratory syndrome (SARS), we constructed a homology model of the SARS coronavirus main protease using our modeling software, FAMS Ligand&Complex, and released it before the X-ray structure was solved. The X-ray structure showed our model as accurately predicted and useful for structure based drug design.</description><subject>Antiviral Agents - chemical synthesis</subject><subject>Cysteine Endopeptidases</subject><subject>Drug Design</subject><subject>Drug Evaluation, Preclinical - methods</subject><subject>Endopeptidases - chemistry</subject><subject>homology modeling</subject><subject>Models, Molecular</subject><subject>normal mode analysis</subject><subject>SARS coronavirus</subject><subject>SARS Virus - enzymology</subject><subject>severe acute respiratory syndrome (SARS)</subject><subject>Structural Homology, Protein</subject><subject>structure based drug design</subject><subject>Structure-Activity Relationship</subject><subject>Viral Proteins - chemistry</subject><issn>0009-2363</issn><issn>1347-5223</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2004</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkVGLEzEQxxdRvHr64geQgCAqtE6SzWb3SWrvvBPuUK76HNLsbJuyu-kl2UI_gt_alK134IsvE2bmN_-Z8M-y1xRmlOXlJ7NbzQSbFTl_kk0oz-VUMMafZhMAqKaMF_wsexHCFoAJkPx5dkYF5ZwxOcl-X-51O-hoXU9cQ65d51q3PpBbV2Nr-_WxGDdIlrhHj2RuhojkDsPOeh2dP5Dloa-965C8X87vlh_IwnnX6731QyC32vbkh3cRdUDSOE-W0Q8mDknpSyrV5MIPa3KBwa77l9mzRrcBX53e8-zX18ufi-vpzferb4v5zdRImscpK3kFJtc5LU2dF3qFFa8kCABaFkaYRmtBRaOpqFFjLQBTAuWqKg2XoDk_z96Nujvv7gcMUXU2GGxb3aMbgpK0gqIqqv-CVEpWlIwm8O0_4NYNvk-fUDQvIBmSyyJRH0fKeBeCx0btvO20PygK6uijSj4qwVTyMcFvTpLDqsP6ET0Zl4CrEUhda3Tr-uQWPi42QZoNdlYxgFwBCAZCAacKkvwxCApSVuXx-s-j0jZEvcaHVdpHa1r8e5UYw3H6obPRXmHP_wCDasXJ</recordid><startdate>20040501</startdate><enddate>20040501</enddate><creator>Takeda-Shitaka, Mayuko</creator><creator>Nojima, Hiroyuki</creator><creator>Takaya, Daisuke</creator><creator>Kanou, Kazuhiko</creator><creator>Iwadate, Mitsuo</creator><creator>Umeyama, Hideaki</creator><general>The Pharmaceutical Society of Japan</general><general>Pharmaceutical Society of Japan</general><general>Japan Science and Technology Agency</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7TK</scope><scope>7TM</scope><scope>7U9</scope><scope>H94</scope><scope>7X8</scope></search><sort><creationdate>20040501</creationdate><title>Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design</title><author>Takeda-Shitaka, Mayuko ; Nojima, Hiroyuki ; Takaya, Daisuke ; Kanou, Kazuhiko ; Iwadate, Mitsuo ; Umeyama, Hideaki</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c714t-28390c4a418cd46abe93970500186c5cfaa515fa15deaed50e5fa08b98c370a33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2004</creationdate><topic>Antiviral Agents - chemical synthesis</topic><topic>Cysteine Endopeptidases</topic><topic>Drug Design</topic><topic>Drug Evaluation, Preclinical - methods</topic><topic>Endopeptidases - chemistry</topic><topic>homology modeling</topic><topic>Models, Molecular</topic><topic>normal mode analysis</topic><topic>SARS coronavirus</topic><topic>SARS Virus - enzymology</topic><topic>severe acute respiratory syndrome (SARS)</topic><topic>Structural Homology, Protein</topic><topic>structure based drug design</topic><topic>Structure-Activity Relationship</topic><topic>Viral Proteins - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Takeda-Shitaka, Mayuko</creatorcontrib><creatorcontrib>Nojima, Hiroyuki</creatorcontrib><creatorcontrib>Takaya, Daisuke</creatorcontrib><creatorcontrib>Kanou, Kazuhiko</creatorcontrib><creatorcontrib>Iwadate, Mitsuo</creatorcontrib><creatorcontrib>Umeyama, Hideaki</creatorcontrib><creatorcontrib>school of Pharmaceutical sciences</creatorcontrib><creatorcontrib>Kitasato University</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Neurosciences Abstracts</collection><collection>Nucleic Acids Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>AIDS and Cancer Research Abstracts</collection><collection>MEDLINE - Academic</collection><jtitle>Chemical & Pharmaceutical Bulletin</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Takeda-Shitaka, Mayuko</au><au>Nojima, Hiroyuki</au><au>Takaya, Daisuke</au><au>Kanou, Kazuhiko</au><au>Iwadate, Mitsuo</au><au>Umeyama, Hideaki</au><aucorp>school of Pharmaceutical sciences</aucorp><aucorp>Kitasato University</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design</atitle><jtitle>Chemical & Pharmaceutical Bulletin</jtitle><addtitle>Chem. Pharm. Bull.</addtitle><date>2004-05-01</date><risdate>2004</risdate><volume>52</volume><issue>5</issue><spage>643</spage><epage>645</epage><pages>643-645</pages><issn>0009-2363</issn><eissn>1347-5223</eissn><abstract>To accelerate the development of drugs against severe acute respiratory syndrome (SARS), we constructed a homology model of the SARS coronavirus main protease using our modeling software, FAMS Ligand&Complex, and released it before the X-ray structure was solved. The X-ray structure showed our model as accurately predicted and useful for structure based drug design.</abstract><cop>Japan</cop><pub>The Pharmaceutical Society of Japan</pub><pmid>15133227</pmid><doi>10.1248/cpb.52.643</doi><tpages>3</tpages><oa>free_for_read</oa></addata></record> |
fulltext | fulltext |
identifier | ISSN: 0009-2363 |
ispartof | Chemical and Pharmaceutical Bulletin, 2004, Vol.52(5), pp.643-645 |
issn | 0009-2363 1347-5223 |
language | eng |
recordid | cdi_proquest_miscellaneous_71906969 |
source | J-STAGE Free; MEDLINE; EZB-FREE-00999 freely available EZB journals; Free Full-Text Journals in Chemistry |
subjects | Antiviral Agents - chemical synthesis Cysteine Endopeptidases Drug Design Drug Evaluation, Preclinical - methods Endopeptidases - chemistry homology modeling Models, Molecular normal mode analysis SARS coronavirus SARS Virus - enzymology severe acute respiratory syndrome (SARS) Structural Homology, Protein structure based drug design Structure-Activity Relationship Viral Proteins - chemistry |
title | Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design |
url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-22T01%3A41%3A00IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Evaluation%20of%20Homology%20Modeling%20of%20the%20Severe%20Acute%20Respiratory%20Syndrome%20(SARS)%20Coronavirus%20Main%20Protease%20for%20Structure%20Based%20Drug%20Design&rft.jtitle=Chemical%20&%20Pharmaceutical%20Bulletin&rft.au=Takeda-Shitaka,%20Mayuko&rft.aucorp=school%20of%20Pharmaceutical%20sciences&rft.date=2004-05-01&rft.volume=52&rft.issue=5&rft.spage=643&rft.epage=645&rft.pages=643-645&rft.issn=0009-2363&rft.eissn=1347-5223&rft_id=info:doi/10.1248/cpb.52.643&rft_dat=%3Cproquest_cross%3E17726821%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=1460347476&rft_id=info:pmid/15133227&rfr_iscdi=true |