7372-44-3Relevant academic research and scientific papers
A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells
Tian, Hai-Yan,Yuan, Xiao-Feng,Jin, Lu,Li, Juan,Luo, Cheng,Ye, Wen-Cai,Jiang, Ren-Wang
, p. 16 - 22 (2014)
Molecular docking studies have shown that Δ8,14- anhydrobufalin (1) exhibited more potent binding affinity on androgen receptor (AR) than Δ14,15-anhydrobufalin (2) and bufalin (3). To validate the docking results, compounds 1 and 2 were synthesized. The AR competitive binding assay indicated that the IC50 values of 1-3 were 1.9, >50 and >50 μM (relative binding affinity), respectively, which confirmed that our theoretical binding mode was reliable and predictable. Furthermore, compound 1 was found to show more potent inhibitory activity against the androgen dependent LNCaP cancer cells than the androgen independent PC3 cancer cells, but exhibited less inhibition on the Na+/K + ATPase as compared with the parent compound 3. To the best of our knowledge, compound 1 represented the first AR antagonist derived from bufadienolide discovered through a series of combined approaches of molecular docking and actual experimental validation.
Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans
Tian, Hai-Yan,Ruan, Li-Jun,Yu, Tong,Zheng, Qing-Fei,Chen, Nan-Hao,Wu, Rui-Bo,Zhang, Xiao-Qi,Wang, Lei,Jiang, Ren-Wang,Ye, Wen-Cai
, p. 1182 - 1186 (2017)
Bufospirostenin A (1) and bufogargarizin C (2), two novel steroids with rearranged A/B rings, were isolated from the toad Bufo bufo gargarizans. Compound 1 represents the first spirostanol found in animals. Compound 2 is an unusual bufadienolide with a cycloheptatriene B ring. Their structures were elucidated by spectroscopic analysis, single crystal X-ray diffraction analysis, and computational calculations.
