Cancer and virus leads by HTS, chemical design and SEA data mining.
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.
Thepchatri
Pahk
P
Chemical Biology Discovery Center, 1510 Clifton Road, Emory University, Atlanta, GA 30322, USA.
Min
Jaeki
J
Ganesh
Thota
T
Du
Yuhong
Y
Lewis
Iestyn
I
Kurtkaya
Serdar
S
Prussia
Andrew
A
Li
Lian
L
Sneed
Blossom
B
Plemper
Richard K
RK
Fu
Haian
H
Liotta
Dennis C
DC
Snyder
James P
JP
Dingledine
Raymond
R
Sun
Aiming
A
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
D015335:Molecular Probes