Pharmacophore inference and its application to computational drug discovery
Pharmacophores are fundamental tools in the process of rational drug discovery. Pharmacophores are associated with binding sites of proteins and characterize the arrangement of chemical and physical features that govern the modes of interactions of different ligands within the binding sites. Methods...
Gespeichert in:
| Veröffentlicht in: | Drug development research 2011-02, Vol.72 (1), p.17-25 |
|---|---|
| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 25 |
|---|---|
| container_issue | 1 |
| container_start_page | 17 |
| container_title | Drug development research |
| container_volume | 72 |
| creator | Wallach, Izhar |
| description | Pharmacophores are fundamental tools in the process of rational drug discovery. Pharmacophores are associated with binding sites of proteins and characterize the arrangement of chemical and physical features that govern the modes of interactions of different ligands within the binding sites. Methods designed to infer pharmacophores computationally have been successfully applied in drug discovery pipelines. Virtual high‐throughput screening (HTS), lead optimization, and de novo drug design are just a few areas in which pharmacophores are actively used. This review surveys different computational methods to elucidate pharmacophores and discuss their utilization in drug discovery applications. Drug Dev Res 72: 17–25, 2011. © 2010 Wiley‐Liss, Inc. |
| doi_str_mv | 10.1002/ddr.20398 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2370366778</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2370366778</sourcerecordid><originalsourceid>FETCH-LOGICAL-c3358-29b390b6f9361f33d9d2ef82baabc90bae0e783d78bb821f9b559f4000bd191a3</originalsourceid><addsrcrecordid>eNp1kMtOwzAQRS0EEqWw4A8isWKR1o_m4SVqoUVUgKAIxMbyk7qkcbAToH9PaIAdq9FozhldXQCOERwgCPFQKT_AkNB8B_QQpHmMMaW7oAdxhuMRoWgfHISwghChUZ73wNXtkvs1l65aOq8jWxrtdSl1xEsV2TpEvKoKK3ltXRnVLpJuXTX1duVFpHzzEikbpHvXfnMI9gwvgj76mX3wcHG-GM_i-c30cnw2jyUhSZuICkKhSA0lKTKEKKqwNjkWnAvZHriGOsuJynIhcowMFUlCzQhCKBSiiJM-OOn-Vt69NTrUbOUa3-YJDJMMkjTNWr8PTjtKeheC14ZV3q653zAE2XdXrO2Kbbtq2WHHfthCb_4H2WRy92vEnWFDrT__DO5fWZqRLGGP11P2NE5mC_x8z2bkC40IeuQ</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2370366778</pqid></control><display><type>article</type><title>Pharmacophore inference and its application to computational drug discovery</title><source>Wiley Online Library All Journals</source><creator>Wallach, Izhar</creator><creatorcontrib>Wallach, Izhar</creatorcontrib><description>Pharmacophores are fundamental tools in the process of rational drug discovery. Pharmacophores are associated with binding sites of proteins and characterize the arrangement of chemical and physical features that govern the modes of interactions of different ligands within the binding sites. Methods designed to infer pharmacophores computationally have been successfully applied in drug discovery pipelines. Virtual high‐throughput screening (HTS), lead optimization, and de novo drug design are just a few areas in which pharmacophores are actively used. This review surveys different computational methods to elucidate pharmacophores and discuss their utilization in drug discovery applications. Drug Dev Res 72: 17–25, 2011. © 2010 Wiley‐Liss, Inc.</description><identifier>ISSN: 0272-4391</identifier><identifier>EISSN: 1098-2299</identifier><identifier>DOI: 10.1002/ddr.20398</identifier><language>eng</language><publisher>Hoboken: Wiley Subscription Services, Inc., A Wiley Company</publisher><subject>Binding sites ; Computer applications ; computer-aided drug discovery ; Design optimization ; Drug development ; Drug discovery ; Organic chemistry ; Pharmacology ; pharmacophore modeling ; Pharmacophores ; structure-based drug design</subject><ispartof>Drug development research, 2011-02, Vol.72 (1), p.17-25</ispartof><rights>2010 Wiley‐Liss, Inc.</rights><rights>Copyright Wiley Subscription Services, Inc. Feb 2011</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3358-29b390b6f9361f33d9d2ef82baabc90bae0e783d78bb821f9b559f4000bd191a3</citedby><cites>FETCH-LOGICAL-c3358-29b390b6f9361f33d9d2ef82baabc90bae0e783d78bb821f9b559f4000bd191a3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fddr.20398$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fddr.20398$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,780,784,1416,27922,27923,45572,45573</link.rule.ids></links><search><creatorcontrib>Wallach, Izhar</creatorcontrib><title>Pharmacophore inference and its application to computational drug discovery</title><title>Drug development research</title><addtitle>Drug Dev. Res</addtitle><description>Pharmacophores are fundamental tools in the process of rational drug discovery. Pharmacophores are associated with binding sites of proteins and characterize the arrangement of chemical and physical features that govern the modes of interactions of different ligands within the binding sites. Methods designed to infer pharmacophores computationally have been successfully applied in drug discovery pipelines. Virtual high‐throughput screening (HTS), lead optimization, and de novo drug design are just a few areas in which pharmacophores are actively used. This review surveys different computational methods to elucidate pharmacophores and discuss their utilization in drug discovery applications. Drug Dev Res 72: 17–25, 2011. © 2010 Wiley‐Liss, Inc.</description><subject>Binding sites</subject><subject>Computer applications</subject><subject>computer-aided drug discovery</subject><subject>Design optimization</subject><subject>Drug development</subject><subject>Drug discovery</subject><subject>Organic chemistry</subject><subject>Pharmacology</subject><subject>pharmacophore modeling</subject><subject>Pharmacophores</subject><subject>structure-based drug design</subject><issn>0272-4391</issn><issn>1098-2299</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2011</creationdate><recordtype>article</recordtype><recordid>eNp1kMtOwzAQRS0EEqWw4A8isWKR1o_m4SVqoUVUgKAIxMbyk7qkcbAToH9PaIAdq9FozhldXQCOERwgCPFQKT_AkNB8B_QQpHmMMaW7oAdxhuMRoWgfHISwghChUZ73wNXtkvs1l65aOq8jWxrtdSl1xEsV2TpEvKoKK3ltXRnVLpJuXTX1duVFpHzzEikbpHvXfnMI9gwvgj76mX3wcHG-GM_i-c30cnw2jyUhSZuICkKhSA0lKTKEKKqwNjkWnAvZHriGOsuJynIhcowMFUlCzQhCKBSiiJM-OOn-Vt69NTrUbOUa3-YJDJMMkjTNWr8PTjtKeheC14ZV3q653zAE2XdXrO2Kbbtq2WHHfthCb_4H2WRy92vEnWFDrT__DO5fWZqRLGGP11P2NE5mC_x8z2bkC40IeuQ</recordid><startdate>201102</startdate><enddate>201102</enddate><creator>Wallach, Izhar</creator><general>Wiley Subscription Services, Inc., A Wiley Company</general><general>Wiley Subscription Services, Inc</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QO</scope><scope>7QP</scope><scope>7QR</scope><scope>7TK</scope><scope>7U7</scope><scope>8FD</scope><scope>C1K</scope><scope>FR3</scope><scope>P64</scope></search><sort><creationdate>201102</creationdate><title>Pharmacophore inference and its application to computational drug discovery</title><author>Wallach, Izhar</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3358-29b390b6f9361f33d9d2ef82baabc90bae0e783d78bb821f9b559f4000bd191a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2011</creationdate><topic>Binding sites</topic><topic>Computer applications</topic><topic>computer-aided drug discovery</topic><topic>Design optimization</topic><topic>Drug development</topic><topic>Drug discovery</topic><topic>Organic chemistry</topic><topic>Pharmacology</topic><topic>pharmacophore modeling</topic><topic>Pharmacophores</topic><topic>structure-based drug design</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wallach, Izhar</creatorcontrib><collection>Istex</collection><collection>CrossRef</collection><collection>Biotechnology Research Abstracts</collection><collection>Calcium & Calcified Tissue Abstracts</collection><collection>Chemoreception Abstracts</collection><collection>Neurosciences Abstracts</collection><collection>Toxicology Abstracts</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Engineering Research Database</collection><collection>Biotechnology and BioEngineering Abstracts</collection><jtitle>Drug development research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wallach, Izhar</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Pharmacophore inference and its application to computational drug discovery</atitle><jtitle>Drug development research</jtitle><addtitle>Drug Dev. Res</addtitle><date>2011-02</date><risdate>2011</risdate><volume>72</volume><issue>1</issue><spage>17</spage><epage>25</epage><pages>17-25</pages><issn>0272-4391</issn><eissn>1098-2299</eissn><abstract>Pharmacophores are fundamental tools in the process of rational drug discovery. Pharmacophores are associated with binding sites of proteins and characterize the arrangement of chemical and physical features that govern the modes of interactions of different ligands within the binding sites. Methods designed to infer pharmacophores computationally have been successfully applied in drug discovery pipelines. Virtual high‐throughput screening (HTS), lead optimization, and de novo drug design are just a few areas in which pharmacophores are actively used. This review surveys different computational methods to elucidate pharmacophores and discuss their utilization in drug discovery applications. Drug Dev Res 72: 17–25, 2011. © 2010 Wiley‐Liss, Inc.</abstract><cop>Hoboken</cop><pub>Wiley Subscription Services, Inc., A Wiley Company</pub><doi>10.1002/ddr.20398</doi><tpages>9</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0272-4391 |
| ispartof | Drug development research, 2011-02, Vol.72 (1), p.17-25 |
| issn | 0272-4391 1098-2299 |
| language | eng |
| recordid | cdi_proquest_journals_2370366778 |
| source | Wiley Online Library All Journals |
| subjects | Binding sites Computer applications computer-aided drug discovery Design optimization Drug development Drug discovery Organic chemistry Pharmacology pharmacophore modeling Pharmacophores structure-based drug design |
| title | Pharmacophore inference and its application to computational drug discovery |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-09T20%3A42%3A48IST&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=Pharmacophore%20inference%20and%20its%20application%20to%20computational%20drug%20discovery&rft.jtitle=Drug%20development%20research&rft.au=Wallach,%20Izhar&rft.date=2011-02&rft.volume=72&rft.issue=1&rft.spage=17&rft.epage=25&rft.pages=17-25&rft.issn=0272-4391&rft.eissn=1098-2299&rft_id=info:doi/10.1002/ddr.20398&rft_dat=%3Cproquest_cross%3E2370366778%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=2370366778&rft_id=info:pmid/&rfr_iscdi=true |