Dataset Information

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

ABSTRACT:

Objectives

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

Methods

The chromatographic separation of S. innocua (root bark) ethyl acetate extract resulted in the isolation of campesterol (1) and β-sitosterol (2).

Results

The structures of 1 and 2 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 S. innocua. Docking studies revealed that the binding affinities of 1 with the binding sites of Staphylococcus aureus pyruvate carboxylase (PDB: 3HO8) and Pseudomonas aeruginosa virulence factor regulator (PDB: 2OZ6) were -7.8 and -7.9 kcal/mol, respectively. Furthermore, 2 had binding affinities of -7.6 and -7.7 kcal/mol with binding sites of S. aureus and P. aeruginosa, respectively, whereas ciprofloxacin (a standard drug) had binding affinities of -6.6 and -8.7 kcal/mol.

Conclusion

This study indicated that S. innocua root bark is rich in campesterol and β-sitosterol. In silico molecular docking demonstrated that the compounds interact well with the binding sites of S. aureus and P. aeruginosa.

SUBMITTER: Uttu AJ

PROVIDER: S-EPMC9906018 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature

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Isolation, characterization, and docking studies of campesterol and β-sitosterol from <i>Strychnos innocua</i> (Delile) root bark.

Uttu Ahmed Jibrin AJ Sallau Muhammad Sani MS Ibrahim Hamisu H Iyun Ogunkemi Risikat Agbeke ORA

Journal of Taibah University Medical Sciences 20221215 3

<h4>Objectives</h4>Phytosterols obtained from medicinal plants are well known for their anti-diabetic, anti-cardiovascular, anti-cancer, and anti-microbial properties. <i>Strychnos innocua</i> (a member of the Loganiaceae family) grows in several African nations and is frequently used for medicinal purposes.<h4>Methods</h4>The chromatographic separation of <i>S. innocua</i> (root bark) ethyl acetate extract resulted in the isolation of campesterol (<b>1</b>) and β-sitosterol (<b>2</b>).<h4>Resul ...[more]

PMID: 36818166

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