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. 2021 Apr 16;11(1):8405.
doi: 10.1038/s41598-021-87695-w.

Metabolic profiling of cytotoxic metabolites from five Tabebuia species supported by molecular correlation analysis

Seham S El-Hawary #  1 , Rabab Mohammed #  2 , Ahmed F Tawfike #  3   4 , Sameh Fekry AbouZid  2   5 , Marwa A Taher  6 , Usama Ramadan Abdelmohsen  7   8 , Elham Amin  9   10
Affiliations

Metabolic profiling of cytotoxic metabolites from five Tabebuia species supported by molecular correlation analysis

Seham S El-Hawary et al. Sci Rep. .

Abstract

Tabebuia is the largest genus among the family Bignoniaceae. Tabebuia species are known for their high ornamental and curative value. Here, the cytotoxic potential of extracts from the leaves and stems of five Tabebuia species was analyzed. The highest activity was observed for T. rosea (Bertol.) DC. stem extract against HepG2 cell line (IC50 4.7 µg/mL), T. pallida L. stem extract against MCF-7 cell line (IC50 6.3 µg/mL), and T. pulcherrima stem extract against CACO2 cell line (IC50 2.6 µg/mL). Metabolic profiling of the ten extracts using liquid chromatography-high-resolution mass spectrometry for dereplication purposes led to annotation of forty compounds belonging to different chemical classes. Among the annotated compounds, irridoids represent the major class. Principle component analysis (PCA) was applied to test the similarity and variability among the tested species and the score plot showed similar chemical profiling between the leaves and stems of both T. pulcherrima and T. pallida L. and unique chemical profiling among T. rosea (Bertol.) DC., T. argentea Britton, and T. guayacan (Seem.) Hemsl. leaf extracts and the stem extract of T. rosea (Bertol.) DC. Additionally, a molecular correlation analysis was used to annotate the bioactive cytotoxic metabolites in the extracts and correlate between their chemical and biological profiles.

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Conflict of interest statement

The authors declare no competing interests.

Figures

Figure 1
Figure 1
Percentage of different classes of metabolites annotated from Tabebuia species.
Figure 2
Figure 2
Principal component analysis (PCA) (Cytoscape software, version 3.4.0) score plot showed a respective total variance of 42% and 23% for PC1 and PC2, repectively. (A) PCA score plot of crude Tabebuia extracts; (B) PCA loading plot showing discriminatory metabolites.
Figure 3
Figure 3
Molecular correlation analysis (Cytoscape software, version 3.4.0). (A) Whole molecular correlation analysis showing molecular interactions/grouping; (B) extracted analysis showing molecules highly correlated with HepG2 cytotoxicity; (C) extracted analysis showing molecules highly correlated with MCF-7 cytotoxicity. Nodes are labeled with the molecular weights of the compounds that they represent. The width of the edges connecting nodes is proportional to the strength of interactions.
Figure 4
Figure 4
(A) Coefficient of variation of metabolites linked to CACO2 cytotoxicity; (B) intensity of the top correlated metabolites across the tested species (Cytoscape software, version 3.4.0).
See this image and copyright information in PMC

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