Abstract
A variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads and to accelerate the development of drug candidates. The Emory Chemical and Biology Discovery Center (ECBDC) has been an active participant in the NIHs high-throughput screening (HTS) endeavor to identify potent small molecule probes for poorly studied proteins. Several of Emorys projects relate to cancer or virual infection. We have chosen three successful examples including discovery of potent measles virus RNA-dependent RNA polymerase inhibitors, development of Heat Shock Protein 90 (Hsp90) blockers and identification of angiogenesis inhibitors using transgenic Zebrafish as a HTS model. In parallel with HTS, a unique component of the Emory virtual screening (VS) effort, namely, substructure enrichment analysis (SEA) program has been utilized in several cases.
Current Topics in Medicinal Chemistry
Title: Cancer and Virus Leads by HTS, Chemical Design and SEA Data Mining
Volume: 9 Issue: 13
Author(s): Pahk Thepchatri, Jaeki Min, Thota Ganesh, Yuhong Du, Iestyn Lewis, Serdar Kurtkaya, Andrew Prussia, Lian Li, Blossom Sneed, Richard K. Plemper, Haian Fu, Dennis C. Liotta, James P. Snyder, Raymond Dingledine and Aiming Sun
Affiliation:
Abstract: A variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads and to accelerate the development of drug candidates. The Emory Chemical and Biology Discovery Center (ECBDC) has been an active participant in the NIHs high-throughput screening (HTS) endeavor to identify potent small molecule probes for poorly studied proteins. Several of Emorys projects relate to cancer or virual infection. We have chosen three successful examples including discovery of potent measles virus RNA-dependent RNA polymerase inhibitors, development of Heat Shock Protein 90 (Hsp90) blockers and identification of angiogenesis inhibitors using transgenic Zebrafish as a HTS model. In parallel with HTS, a unique component of the Emory virtual screening (VS) effort, namely, substructure enrichment analysis (SEA) program has been utilized in several cases.
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Thepchatri Pahk, Min Jaeki, Ganesh Thota, Du Yuhong, Lewis Iestyn, Kurtkaya Serdar, Prussia Andrew, Li Lian, Sneed Blossom, Plemper K. Richard, Fu Haian, Liotta C. Dennis, Snyder P. James, Dingledine Raymond and Sun Aiming, Cancer and Virus Leads by HTS, Chemical Design and SEA Data Mining, Current Topics in Medicinal Chemistry 2009; 9 (13) . https://dx.doi.org/10.2174/156802609789753581
DOI https://dx.doi.org/10.2174/156802609789753581 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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