title: Cancer and virus leads by HTS, chemical design and SEA data mining.
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 NIH's high-throughput screening (HTS) endeavor to identify potent small molecule probes for poorly studied proteins. Several of Emory's projects relate to cancer or virus 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.
authors.affiliation: Chemical Biology Discovery Center, 1510 Clifton Road, Emory University, Atlanta, GA 30322, USA.
authors.forename: Pahk
authors.initials: P
authors.lastname: Thepchatri
authors.forename: Jaeki
authors.initials: J
authors.lastname: Min
authors.forename: Thota
authors.initials: T
authors.lastname: Ganesh
authors.forename: Yuhong
authors.initials: Y
authors.lastname: Du
authors.forename: Iestyn
authors.initials: I
authors.lastname: Lewis
authors.forename: Serdar
authors.initials: S
authors.lastname: Kurtkaya
authors.forename: Andrew
authors.initials: A
authors.lastname: Prussia
authors.forename: Lian
authors.initials: L
authors.lastname: Li
authors.forename: Blossom
authors.initials: B
authors.lastname: Sneed
authors.forename: Richard K
authors.initials: RK
authors.lastname: Plemper
authors.forename: Haian
authors.initials: H
authors.lastname: Fu
authors.forename: Dennis C
authors.initials: DC
authors.lastname: Liotta
authors.forename: James P
authors.initials: JP
authors.lastname: Snyder
authors.forename: Raymond
authors.initials: R
authors.lastname: Dingledine
authors.forename: Aiming
authors.initials: A
authors.lastname: Sun
mesh_terms: D000818:Animals; D002626:Chemistry, Pharmaceutical; D057225:Data Mining; D016208:Databases, Factual; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D015335:Molecular Probes / Q000737:chemistry*; D009369:Neoplasms / Q000188:drug therapy*; D014780:Viruses / Q000187:drug effects* / Q000201:enzymology
chemical_list: D015335:Molecular Probes