title: Design, synthesis, and studies of small molecule STAT3 inhibitors.
abstract: A series of small molecule STAT3 inhibitors originally derived from our lead compound STA 21 were synthesized and evaluated. The most potent compound in this series, compound 1, exhibited the same anti-proliferative activities as STA 21 against prostate cancer cell lines that express constitutively active STAT3. Molecular docking showed compound 1 bound to the STAT3beta SH2 domain in a similar manner as STA 21.
authors.affiliation: Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, The Ohio State University, 338 Parks Hall, 500 West 12th Avenue, Columbus, OH 43210, USA.
authors.forename: Deepak
authors.initials: D
authors.lastname: Bhasin
authors.forename: Katryna
authors.initials: K
authors.lastname: Cisek
authors.forename: Trupti
authors.initials: T
authors.lastname: Pandharkar
authors.forename: Nicholas
authors.initials: N
authors.lastname: Regan
authors.forename: Chenglong
authors.initials: C
authors.lastname: Li
authors.forename: Bulbul
authors.initials: B
authors.lastname: Pandit
authors.forename: Jiayuh
authors.initials: J
authors.lastname: Lin
authors.forename: Pui-Kai
authors.initials: PK
authors.lastname: Li
mesh_terms: D000880:Anthraquinones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001551:Benz(a)Anthracenes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001943:Breast Neoplasms / Q000188:drug therapy / Q000378:metabolism / Q000473:pathology; D048708:Cell Growth Processes / Q000187:drug effects; D045744:Cell Line, Tumor; D015195:Drug Design; D006801:Humans; D006860:Hydrogen Bonding; D020128:Inhibitory Concentration 50; D008297:Male; D008958:Models, Molecular; D011471:Prostatic Neoplasms / Q000188:drug therapy / Q000378:metabolism / Q000473:pathology; D050796:STAT3 Transcription Factor / Q000037:antagonists & inhibitors*; D013329:Structure-Activity Relationship; D018909:src Homology Domains
chemical_list: D000880:Anthraquinones; D000970:Antineoplastic Agents; D001551:Benz(a)Anthracenes; D050796:STAT3 Transcription Factor; C494086:STAT3 protein, human