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Chemical characterization and ATP-citrate lyase inhibitory activity study of clerodane diterpenoids from Tinospora
Jin-Qiu You1,2, Yun-Qi Jin3, Chun-Yang Zhang4
1Department of Pharmacy, Suzhou Dushu Lake Hospital, The Fourth Affiliated Hospital of Soochow University, Medical Center of Soochow University, 9 Chongwen Road, Suzhou, 215123, Jiangsu, People's Republic of China. youjinqiu1104@163.com.
Abstract:
Three previously undescribed clerodane diterpenoids, named as tincrispoids A‒C (1‒3), accompanied by nine known analogues (4‒12), were isolated from the stems of Tinospora crispa. Structural determination, including assignment of absolute configurations, was achieved through a combination of spectroscopic analysis, single-crystal X-ray diffraction, and electronic circular dichroism (ECD) computations. The heterocyclic skeletons of the isolates exhibit remarkable structural diversity, comprising 6/6/6- (1 and 5), 6/6- (2, 3, and 7‒9), 6/6/5- (4), 6/5/6/6- (6), and 6/5/6- (10‒12) fused ring systems. Compound 4 showed moderate inhibitory effect on ATP-citrate lyase (ACLY). Molecular docking simulations revealed the specific interaction between compound 4 and ACLY.
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