Isolation, characterization, and docking studies of campesterol and β-sitosterol from (Delile) root bark.

OBJECTIVES

Phytosterols obtained from medicinal plants are well known for their anti-diabetic, anti-cardiovascular, anti-cancer, and anti-microbial properties. (a member of the Loganiaceae family) grows in several African nations and is frequently used for medicinal purposes.

METHODS

The chromatographic separation of (root bark) ethyl acetate extract resulted in the isolation of campesterol () and β-sitosterol ().

RESULTS

The structures of and were confirmed by mass spectrometry, nuclear magnetic resonance (1D and 2D NMR), and literature data. This is a novel report of campesterol and β-sitosterol from . Docking studies revealed that the binding affinities of with the binding sites of pyruvate carboxylase (PDB: 3HO8) and virulence factor regulator (PDB: 2OZ6) were -7.8 and -7.9 kcal/mol, respectively. Furthermore, had binding affinities of -7.6 and -7.7 kcal/mol with binding sites of , respectively, whereas ciprofloxacin (a standard drug) had binding affinities of -6.6 and -8.7 kcal/mol.

CONCLUSION

This study indicated that root bark is rich in campesterol and β-sitosterol. molecular docking demonstrated that the compounds interact well with the binding sites of and .