TY - JOUR
T1 - Computational study and biological evaluation of isolated saponins from the fruits of gleditsia aquatica and gleditsia caspica
AU - Ragab, Ehab A.
AU - Shaheen, Usama
AU - Bader, Ammar
AU - Elokely, Khaled M.
AU - Ghoneim, Mohammed M.
N1 - Funding Information:
The authors would like to thank the AlMaarefa University for financial support given for this research and thankful for the support from Faculty of Pharmacy, Al-Azhar University.
Publisher Copyright:
© 2020 ACG Publications. All rights reserved.
PY - 2021
Y1 - 2021
N2 - 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.
AB - 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.
KW - CD81 human antigen
KW - Computational study
KW - Cytotoxicity
KW - MRSA
KW - Triterpenoidal saponins
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U2 - 10.25135/rnp.202.20.08.1764
DO - 10.25135/rnp.202.20.08.1764
M3 - Article
AN - SCOPUS:85098934682
SN - 1307-6167
VL - 15
SP - 142
EP - 147
JO - Records of Natural Products
JF - Records of Natural Products
IS - 2
ER -