Computational study and biological evaluation of isolated saponins from the fruits of gleditsia aquatica and gleditsia caspica

Ehab A. Ragab, Usama Shaheen, Ammar Bader, Khaled M. Elokely, Mohammed M. Ghoneim*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

Phytochemical study of the ethanolic extract of the fruits of Gleditsia aquatica and Gleditsia caspica resulted in the isolation of the triterpene saponins; aquaticasaponin A (1), aquaticasaponin B (2), caspicaoside L (3) and caspicaoside M (4). Compound (1) showed good activity against methicillin resistant Staphylococcus aureus (MRSA) (IC50 =16.3 μg/mL) and Staphylococcus aureus (non-MRSA), (IC50 =12.2 μg/mL) and it expressed considerable cytotoxic activity against BT-549 (Human Ductal Carcinoma, Breast), KB (Human Epidermal Carcinoma, Oral) and SK-MEL (Human Malignant Melanoma) with IC50 values of 8.3, 10.0 and 3.3 μg/mL, respectively. Compounds (2) and (3) showed potent cytotoxicity against BT-549 with IC50 values of 5.3 and 7.3 μg/mL, and against SK-MEL with IC50 values of 4.3 and 3.1 μg/mL, respectively. Compound (4) showed good cytotoxicity against KB with IC50 value of 7.3 μg/mL. In consistent, the study of molecular determinates of cytotoxic activity of these new scaffolds showed close high docking scores to CD81 (Cluster of Differentiation 81) human antigen which could be of great importance for the development of new cytotoxic candidates. The structure identification of isolated metabolites was carried out using 1D and 2D NMR and mass spectra.

Original languageEnglish
Pages (from-to)142-147
Number of pages6
JournalRecords of Natural Products
Volume15
Issue number2
DOIs
Publication statusPublished - 2021

Keywords

  • CD81 human antigen
  • Computational study
  • Cytotoxicity
  • MRSA
  • Triterpenoidal saponins

ASJC Scopus subject areas

  • Pharmacology
  • Drug Discovery
  • Plant Science
  • Organic Chemistry

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