LC-MS/MS Profiling, Biological Activities and Molecular Docking Studies of Simmondsia Chinensis Leaves.

Siwar Soltani, Rihab Ben Abdallah Kolsi, Noura Baccouch, Thomas Michel, Noureddine Allouche, Hichem Ben Salah
Author Information
  1. Siwar Soltani: Laboratory of organic chemistry LR17ES08, Natural substances team, Faculty of sciences of Sfax, University of Sfax, P.B.1171, 3000, Sfax, Tunisia.
  2. Rihab Ben Abdallah Kolsi: Laboratory of Animal Ecophysiology, Faculty of Sciences of Sfax, University of Sfax, P.B.1171, 3000, Sfax, Tunisia.
  3. Noura Baccouch: Laboratory of organic chemistry LR17ES08, Natural substances team, Faculty of sciences of Sfax, University of Sfax, P.B.1171, 3000, Sfax, Tunisia.
  4. Thomas Michel: Universit�� C��te d'Azur, CNRS, Institut de Chimie de Nice UMR 7272, Parc Valrose, CEDEX 2, 06108, Nice, France.
  5. Noureddine Allouche: Laboratory of organic chemistry LR17ES08, Natural substances team, Faculty of sciences of Sfax, University of Sfax, P.B.1171, 3000, Sfax, Tunisia.
  6. Hichem Ben Salah: Laboratory of organic chemistry LR17ES08, Natural substances team, Faculty of sciences of Sfax, University of Sfax, P.B.1171, 3000, Sfax, Tunisia.

Abstract

This study aimed to assess the biological activities of Tunisian Simmondsia chinensis and characterize its potential bioactive compounds. Different extracts of S. chinensis were tested for their antioxidant, antibacterial, anti-��-amylase, and anti-acetylcholinesterase activities through in���vitro assays. The methanolic extract exhibited the highest levels of antioxidant activity and total phenolic content (976.03 GAE/g extract) compared to the other extracts. Additionally, it demonstrated a substantial anti-acetylcholinesterase activity (PI=75���%) and potent antibacterial property, particularly against Enterococcus faecalis, Listeria monocytogenes, Bacillus cereus, Bacillus subtilis, and Salmonella enterica. The IC values of ethyl acetate and methanolic extracts against ��-amylase were 42�����g/mL and 40�����g/mL, respectively, indicating potent anti-diabetic effects. HPLC-ESI-MS/MS analyses identified flavonoids and lignans as the major phenolic compounds in the methanolic extract. To better comprehend the mechanisms behind inhibitory effects on ��-amylase and acetylcholinesterase enzymes, a molecular docking study was conducted. Consequently, these findings indicate that S. chinensis is a highly valuable natural resource with potential industrial applications.

Keywords

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Grants

  1. LR17ES08/Ministry of Higher Education and Scientific Research

MeSH Term

Molecular Docking Simulation
Plant Leaves
alpha-Amylases
Tandem Mass Spectrometry
Anti-Bacterial Agents
Plant Extracts
Acetylcholinesterase
Antioxidants
Cholinesterase Inhibitors
Microbial Sensitivity Tests
Chromatography, High Pressure Liquid
Phenols
Liquid Chromatography-Mass Spectrometry

Chemicals

alpha-Amylases
Anti-Bacterial Agents
Plant Extracts
Acetylcholinesterase
Antioxidants
Cholinesterase Inhibitors
Phenols

Word Cloud

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