Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design
Using searching techniques based on algorithms derived from graph theory, we have established a similarity between a 3‐dimensional cluster of side chains implicated in drug binding in influenza sialidase and side chains involved in isocitrate binding in Escherichia coli isocitrate dehydrogenase. The...
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| Veröffentlicht in: | Protein science 1994-07, Vol.3 (7), p.1128-1130 |
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| container_issue | 7 |
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| container_title | Protein science |
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| creator | Poirrette, Andrew R. Grindley, Helen M. Rice, David W. Artymiuk, Peter J. Willett, Peter |
| description | Using searching techniques based on algorithms derived from graph theory, we have established a similarity between a 3‐dimensional cluster of side chains implicated in drug binding in influenza sialidase and side chains involved in isocitrate binding in Escherichia coli isocitrate dehydrogenase. The possible implications of the use of such comparative methods in drug design are discussed. |
| doi_str_mv | 10.1002/pro.5560030719 |
| format | Article |
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The possible implications of the use of such comparative methods in drug design are discussed.</description><subject>Algorithms</subject><subject>Binding Sites</subject><subject>Drug Design</subject><subject>graph theory</subject><subject>influenza sialidase</subject><subject>isocitrate dehydrogenase</subject><subject>Isocitrate Dehydrogenase - chemistry</subject><subject>Isocitrate Dehydrogenase - metabolism</subject><subject>Models, Molecular</subject><subject>Molecular Structure</subject><subject>Neuraminidase - chemistry</subject><subject>Neuraminidase - metabolism</subject><subject>Orthomyxoviridae - enzymology</subject><subject>structure similarity</subject><issn>0961-8368</issn><issn>1469-896X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1994</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFUU1rFDEYDmKp2-rVm5CTt1mTzEwm8SBI0bZQaPEDvIVsPmYjmWRMMi3rv-k_NbpLrSchEPI-H3kfHgBeYrTGCJE3c4rrvqcItWjA_AlY4Y7yhnH67SlYIU5xw1rKnoGTnL8jhDpM2mNwPHCCCCUrcP-5pEWVJUkPs5ucl8mVHdyYcmdMgBsXtAtjhYrJ0IV6rF9M-CnrSHqnZTZQBg1djsqVJIuB2mx3OsXRhAq-hZfT7J2SxcWQoY2p0qH0xaRQZ7dVPdcIUm1hiTD9odVVdFrGapTdGJ6DIyt9Ni8O9yn4-vHDl7OL5ur6_PLs_VWjurbnDbESK8ZreNshhntGEdZKKd1SohXtObWYbazVbdsj21HV98hQzoYqQorb9hS82_vOy2YyWplQ43gxJzfJtBNROvEvEtxWjPFWENwRxkk1eH0wSPHHYnIRk8vKeC-DiUsWAx1aVkuqxPWeqFLMORn78AlG4nep9R3F31Kr4NXj1R7ohxYrzvf4nfNm9x83cfPp-pH3L1SNtIQ</recordid><startdate>199407</startdate><enddate>199407</enddate><creator>Poirrette, Andrew R.</creator><creator>Grindley, Helen M.</creator><creator>Rice, David W.</creator><creator>Artymiuk, Peter J.</creator><creator>Willett, Peter</creator><general>Cold Spring Harbor Laboratory Press</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>7X8</scope><scope>5PM</scope></search><sort><creationdate>199407</creationdate><title>Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design</title><author>Poirrette, Andrew R. ; Grindley, Helen M. ; Rice, David W. ; Artymiuk, Peter J. ; Willett, Peter</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4359-2fa1c89469f408158601dcccd362dc6596f18bffd3350f46c550e6987c890c9f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1994</creationdate><topic>Algorithms</topic><topic>Binding Sites</topic><topic>Drug Design</topic><topic>graph theory</topic><topic>influenza sialidase</topic><topic>isocitrate dehydrogenase</topic><topic>Isocitrate Dehydrogenase - chemistry</topic><topic>Isocitrate Dehydrogenase - metabolism</topic><topic>Models, Molecular</topic><topic>Molecular Structure</topic><topic>Neuraminidase - chemistry</topic><topic>Neuraminidase - metabolism</topic><topic>Orthomyxoviridae - enzymology</topic><topic>structure similarity</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Poirrette, Andrew R.</creatorcontrib><creatorcontrib>Grindley, Helen M.</creatorcontrib><creatorcontrib>Rice, David W.</creatorcontrib><creatorcontrib>Artymiuk, Peter J.</creatorcontrib><creatorcontrib>Willett, Peter</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Protein science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Poirrette, Andrew R.</au><au>Grindley, Helen M.</au><au>Rice, David W.</au><au>Artymiuk, Peter J.</au><au>Willett, Peter</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design</atitle><jtitle>Protein science</jtitle><addtitle>Protein Sci</addtitle><date>1994-07</date><risdate>1994</risdate><volume>3</volume><issue>7</issue><spage>1128</spage><epage>1130</epage><pages>1128-1130</pages><issn>0961-8368</issn><eissn>1469-896X</eissn><abstract>Using searching techniques based on algorithms derived from graph theory, we have established a similarity between a 3‐dimensional cluster of side chains implicated in drug binding in influenza sialidase and side chains involved in isocitrate binding in Escherichia coli isocitrate dehydrogenase. 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| identifier | ISSN: 0961-8368 |
| ispartof | Protein science, 1994-07, Vol.3 (7), p.1128-1130 |
| issn | 0961-8368 1469-896X |
| language | eng |
| recordid | cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_2142892 |
| source | MEDLINE; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; Wiley Online Library All Journals; PubMed Central; Free Full-Text Journals in Chemistry |
| subjects | Algorithms Binding Sites Drug Design graph theory influenza sialidase isocitrate dehydrogenase Isocitrate Dehydrogenase - chemistry Isocitrate Dehydrogenase - metabolism Models, Molecular Molecular Structure Neuraminidase - chemistry Neuraminidase - metabolism Orthomyxoviridae - enzymology structure similarity |
| title | Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design |
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