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Commikuanoid D: A New Potent Carbonic Anhydrase-II Inhibitor from the Resin of Commiphora kua

  • Najeeb Ur Rehman,
  • Sobia Ahsan Halim,
  • Ajmal Khan,
  • Majid Khan,
  • Ahmed Al-Harrasi

摘要

A new compound, commikuanoid D, was isolated from the ethyl acetate fraction of Commiphora kua resin. The structure was unambiguously elucidated on the basis of complete spectroscopic analysis. Furthermore, the compound displayed potent carbonic anhydrase II inhibition with IC50 of 17.4 ± 0.32 μM. On the other hand, the molecular docking reflected that the acetyl group of the molecule specifically binds with the Zn ion at the active site of CA-II, and the OH group of the compound mediated hydrogen bonding with Gln92, thus blocking the enzyme activity with a good binding score (≥ 7 kcal/mol).