Discovery and optimization of 2-thio-5-amino substituted benzoquinones as potent anticancer agents.
Based on our discovered novel lead compound 1 through phenotypic drug discovery (PDD) approaches, systematic structural optimization was performed. A series of 2-allylthio-5-amino substituted benzoquinones were synthesized and evaluated for their in-vitro anticancer activities against human prostate cancer cell line PC3. The compound 7a was found inhibit the growth of PC3 with an IC50 of 0.22 μM, which is over 20-fold improvement compared to lead compound 1. It is noteworthy that compound 7a also showed potent anti-proliferation activity toward a panel of cancer cells with relatively less cytotoxicity to nonmalignant cell, as well as good water solubility.
['Zhao|Yuqiong|Y|', 'Lu|Yihuan|Y|', 'Li|Ridong|R|', 'He|Jianan|J|', 'Zhang|Han|H|', 'Wang|Xin|X|', 'Ge|Zemei|Z|', 'Li|Runtao|R|']
D000970:Antineoplastic Agents D016227:Benzoquinones D045744:Cell Line, Tumor D049109:Cell Proliferation D015195:Drug Design D055808:Drug Discovery D004354:Drug Screening Assays, Antitumor D006801:Humans D020128:Inhibitory Concentration 50 D012995:Solubility D013329:Structure-Activity Relationship
2-Thio-5-amino substituted benzoquinones Anti-tumor activity Structure-activity relationship Synthesis