Phytochemical Investigation of Cordia africana Lam. Stem Bark: Molecular Simulation Approach

Molecules. 2022 Jun 23;27(13):4039. doi: 10.3390/molecules27134039.

Abstract

Background: The current work planned to evaluate Cordia africana Lam. stem bark, a traditionally used herb in curing of different ailments in Africa such as gastritis and wound infections, based on phytochemical and antibacterial studies of two pathogenic microorganisms: methicillin-resistant Staphylococcus aureus (MRSA) and Helicobacter pylori.

Methods: High performance liquid chromatography (HPLC) profiling was used for qualitative and quantitative investigation of the ethanol extract. The minimum inhibitory concentration (MIC) of the ethanolic extract and isolated compounds was estimated using the broth microdilution method and evidenced by molecular dynamics simulations.

Results: Four compounds were isolated and identified for the first time: α-amyrin, β-sitosterol, rosmarinic acid (RA) and methyl rosmarinate (MR). HPLC analysis illustrated that MR was the dominant phenolic acid. MR showed the best bacterial inhibitory activity against MRSA and H. pylori with MIC 7.81 ± 1.7 μg/mL and 31.25 ± 0.6, respectively, when compared to clarithromycin and vancomycin, respectively.

Conclusion: The antibacterial activity of the stem bark of Cordia africana Lam. was evidenced against MRSA and H. pylori. Computational modeling of the studied enzyme-ligands systems reveals that RA and MR can potentially inhibit both MRSA peptidoglycan transpeptidases and H. pylori urease, thereby creating a pathway via the use of a double target approach in antibacterial treatment.

Keywords: Cordia africana stem bark; HPLC; antibacterial activity; methyl rosmarinate; molecular dynamic; rosmarinic acid.

MeSH terms

  • Anti-Bacterial Agents / chemistry
  • Computer Simulation
  • Cordia* / chemistry
  • Helicobacter pylori*
  • Methicillin-Resistant Staphylococcus aureus*
  • Microbial Sensitivity Tests
  • Phytochemicals / analysis
  • Phytochemicals / pharmacology
  • Plant Bark / chemistry
  • Plant Extracts / chemistry

Substances

  • Anti-Bacterial Agents
  • Phytochemicals
  • Plant Extracts

Grants and funding

This research received no external funding and APC are funded by the authors.