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<p>Three previously undescribed clerodane diterpenoids, named as tincrispoids A‒C (<b>1</b>‒<b>3</b>), accompanied by nine known analogues (<b>4</b>‒<b>12</b>), were isolated from the stems of <i>Tinospora crispa</i>. 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- (<b>1</b> and <b>5</b>), 6/6- (<b>2</b>, <b>3</b>, and <b>7</b>‒<b>9</b>), 6/6/5- (<b>4</b>), 6/5/6/6- (<b>6</b>), and 6/5/6- (<b>10</b>‒<b>12</b>) fused ring systems. Compound <b>4</b> showed moderate inhibitory effect on ATP-citrate lyase (ACLY). Molecular docking simulations revealed the specific interaction between compound <b>4</b> and ACLY.</p> Graphical abstract <p></p>

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Chemical characterization and ATP-citrate lyase inhibitory activity study of clerodane diterpenoids from Tinospora crispa

  • 期刊论文

  • 发表日期：

    2025年12月25日

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  • Jin-Qiu You,
  • Yun-Qi Jin,
  • Chun-Yang Zhang

摘要

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.

Graphical abstract