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Fragment-based screening of programmed death ligand 1 (PD-L1)
[Display omitted] The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of...
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| Published in: | Bioorganic & medicinal chemistry letters 2019-03, Vol.29 (6), p.786-790 |
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| Main Authors: | , , , , , , , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c482t-aabcad739258585ee51f171b2609c156ba1024fd6151256290295944727a400c3 |
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| cites | cdi_FETCH-LOGICAL-c482t-aabcad739258585ee51f171b2609c156ba1024fd6151256290295944727a400c3 |
| container_end_page | 790 |
| container_issue | 6 |
| container_start_page | 786 |
| container_title | Bioorganic & medicinal chemistry letters |
| container_volume | 29 |
| creator | Perry, Evan Mills, Jonathan J. Zhao, Bin Wang, Feng Sun, Qi Christov, Plamen P. Tarr, James C. Rietz, Tyson A. Olejniczak, Edward T. Lee, Taekyu Fesik, Stephen |
| description | [Display omitted]
The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained. |
| doi_str_mv | 10.1016/j.bmcl.2019.01.028 |
| format | article |
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The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained.</description><identifier>ISSN: 0960-894X</identifier><identifier>EISSN: 1464-3405</identifier><identifier>DOI: 10.1016/j.bmcl.2019.01.028</identifier><identifier>PMID: 30728114</identifier><language>eng</language><publisher>England: Elsevier Ltd</publisher><subject>60 APPLIED LIFE SCIENCES ; B7-H1 Antigen - antagonists & inhibitors ; B7-H1 Antigen - chemistry ; B7-H1 Antigen - metabolism ; Cancer drug discovery ; Crystallography, X-Ray ; Fragment-based screening ; Humans ; Hydrogen Bonding ; Hydrophobic and Hydrophilic Interactions ; Immunotherapy ; PD-L1 inhibitor ; Protein Binding ; Small Molecule Libraries - chemistry ; Small Molecule Libraries - metabolism ; Structure-based design</subject><ispartof>Bioorganic & medicinal chemistry letters, 2019-03, Vol.29 (6), p.786-790</ispartof><rights>2019 Elsevier Ltd</rights><rights>Copyright © 2019 Elsevier Ltd. All rights reserved.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c482t-aabcad739258585ee51f171b2609c156ba1024fd6151256290295944727a400c3</citedby><cites>FETCH-LOGICAL-c482t-aabcad739258585ee51f171b2609c156ba1024fd6151256290295944727a400c3</cites><orcidid>0000-0001-5957-6192 ; 0000000159576192</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27923,27924</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/30728114$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/servlets/purl/1544853$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Perry, Evan</creatorcontrib><creatorcontrib>Mills, Jonathan J.</creatorcontrib><creatorcontrib>Zhao, Bin</creatorcontrib><creatorcontrib>Wang, Feng</creatorcontrib><creatorcontrib>Sun, Qi</creatorcontrib><creatorcontrib>Christov, Plamen P.</creatorcontrib><creatorcontrib>Tarr, James C.</creatorcontrib><creatorcontrib>Rietz, Tyson A.</creatorcontrib><creatorcontrib>Olejniczak, Edward T.</creatorcontrib><creatorcontrib>Lee, Taekyu</creatorcontrib><creatorcontrib>Fesik, Stephen</creatorcontrib><creatorcontrib>Argonne National Laboratory (ANL), Argonne, IL (United States)</creatorcontrib><title>Fragment-based screening of programmed death ligand 1 (PD-L1)</title><title>Bioorganic & medicinal chemistry letters</title><addtitle>Bioorg Med Chem Lett</addtitle><description>[Display omitted]
The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained.</description><subject>60 APPLIED LIFE SCIENCES</subject><subject>B7-H1 Antigen - antagonists & inhibitors</subject><subject>B7-H1 Antigen - chemistry</subject><subject>B7-H1 Antigen - metabolism</subject><subject>Cancer drug discovery</subject><subject>Crystallography, X-Ray</subject><subject>Fragment-based screening</subject><subject>Humans</subject><subject>Hydrogen Bonding</subject><subject>Hydrophobic and Hydrophilic Interactions</subject><subject>Immunotherapy</subject><subject>PD-L1 inhibitor</subject><subject>Protein Binding</subject><subject>Small Molecule Libraries - chemistry</subject><subject>Small Molecule Libraries - metabolism</subject><subject>Structure-based design</subject><issn>0960-894X</issn><issn>1464-3405</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp9kU-LFDEQxYMo7uzqF_AgjafdQ7dV6aT_gAqyuioM6EHBW0inq3sydCezSc-C3940sy56kToEKq9efqnH2AuEAgGr1_uim81UcMC2ACyAN4_YBkUl8lKAfMw20FaQN634ecbOY9wDoAAhnrKzEmreIIoNe3sT9DiTW_JOR-qzaAKRs27M_JAdgh-DnufU70kvu2yyo3Z9htnltw_5Fq-esSeDniI9vz8v2I-bj9-vP-fbr5--XL_f5kY0fMm17ozu67LlsklFJHHAGjteQWtQVp1G4GLoK5TIZcVb4K1shah5rQWAKS_Yu5Pv4dglGpN4g57UIdhZh1_Ka6v-vXF2p0Z_pypRi1rKZPDqZODjYlU0diGzM945MotCKUQjyyS6vH8l-NsjxUXNNhqaJu3IH6Pi2JTYpP3yJOUnqQk-xkDDAwuCWsNRe7WGo9ZwFKBK4aShl3__4mHkTxpJ8OYkoLTLO0thJSVnqLdhBe29_Z__b3T8nXI</recordid><startdate>20190315</startdate><enddate>20190315</enddate><creator>Perry, Evan</creator><creator>Mills, Jonathan J.</creator><creator>Zhao, Bin</creator><creator>Wang, Feng</creator><creator>Sun, Qi</creator><creator>Christov, Plamen P.</creator><creator>Tarr, James C.</creator><creator>Rietz, Tyson A.</creator><creator>Olejniczak, Edward T.</creator><creator>Lee, Taekyu</creator><creator>Fesik, Stephen</creator><general>Elsevier Ltd</general><general>Elsevier</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>OIOZB</scope><scope>OTOTI</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0001-5957-6192</orcidid><orcidid>https://orcid.org/0000000159576192</orcidid></search><sort><creationdate>20190315</creationdate><title>Fragment-based screening of programmed death ligand 1 (PD-L1)</title><author>Perry, Evan ; Mills, Jonathan J. ; Zhao, Bin ; Wang, Feng ; Sun, Qi ; Christov, Plamen P. ; Tarr, James C. ; Rietz, Tyson A. ; Olejniczak, Edward T. ; Lee, Taekyu ; Fesik, Stephen</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c482t-aabcad739258585ee51f171b2609c156ba1024fd6151256290295944727a400c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>60 APPLIED LIFE SCIENCES</topic><topic>B7-H1 Antigen - antagonists & inhibitors</topic><topic>B7-H1 Antigen - chemistry</topic><topic>B7-H1 Antigen - metabolism</topic><topic>Cancer drug discovery</topic><topic>Crystallography, X-Ray</topic><topic>Fragment-based screening</topic><topic>Humans</topic><topic>Hydrogen Bonding</topic><topic>Hydrophobic and Hydrophilic Interactions</topic><topic>Immunotherapy</topic><topic>PD-L1 inhibitor</topic><topic>Protein Binding</topic><topic>Small Molecule Libraries - chemistry</topic><topic>Small Molecule Libraries - metabolism</topic><topic>Structure-based design</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Perry, Evan</creatorcontrib><creatorcontrib>Mills, Jonathan J.</creatorcontrib><creatorcontrib>Zhao, Bin</creatorcontrib><creatorcontrib>Wang, Feng</creatorcontrib><creatorcontrib>Sun, Qi</creatorcontrib><creatorcontrib>Christov, Plamen P.</creatorcontrib><creatorcontrib>Tarr, James C.</creatorcontrib><creatorcontrib>Rietz, Tyson A.</creatorcontrib><creatorcontrib>Olejniczak, Edward T.</creatorcontrib><creatorcontrib>Lee, Taekyu</creatorcontrib><creatorcontrib>Fesik, Stephen</creatorcontrib><creatorcontrib>Argonne National Laboratory (ANL), Argonne, IL (United States)</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>OSTI.GOV - Hybrid</collection><collection>OSTI.GOV</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Bioorganic & medicinal chemistry letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Perry, Evan</au><au>Mills, Jonathan J.</au><au>Zhao, Bin</au><au>Wang, Feng</au><au>Sun, Qi</au><au>Christov, Plamen P.</au><au>Tarr, James C.</au><au>Rietz, Tyson A.</au><au>Olejniczak, Edward T.</au><au>Lee, Taekyu</au><au>Fesik, Stephen</au><aucorp>Argonne National Laboratory (ANL), Argonne, IL (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Fragment-based screening of programmed death ligand 1 (PD-L1)</atitle><jtitle>Bioorganic & medicinal chemistry letters</jtitle><addtitle>Bioorg Med Chem Lett</addtitle><date>2019-03-15</date><risdate>2019</risdate><volume>29</volume><issue>6</issue><spage>786</spage><epage>790</epage><pages>786-790</pages><issn>0960-894X</issn><eissn>1464-3405</eissn><abstract>[Display omitted]
The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained.</abstract><cop>England</cop><pub>Elsevier Ltd</pub><pmid>30728114</pmid><doi>10.1016/j.bmcl.2019.01.028</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0001-5957-6192</orcidid><orcidid>https://orcid.org/0000000159576192</orcidid><oa>free_for_read</oa></addata></record> |
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| ispartof | Bioorganic & medicinal chemistry letters, 2019-03, Vol.29 (6), p.786-790 |
| issn | 0960-894X 1464-3405 |
| language | eng |
| recordid | cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_6474755 |
| source | ScienceDirect Freedom Collection |
| subjects | 60 APPLIED LIFE SCIENCES B7-H1 Antigen - antagonists & inhibitors B7-H1 Antigen - chemistry B7-H1 Antigen - metabolism Cancer drug discovery Crystallography, X-Ray Fragment-based screening Humans Hydrogen Bonding Hydrophobic and Hydrophilic Interactions Immunotherapy PD-L1 inhibitor Protein Binding Small Molecule Libraries - chemistry Small Molecule Libraries - metabolism Structure-based design |
| title | Fragment-based screening of programmed death ligand 1 (PD-L1) |
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