Phytochemical Profile and Cytotoxic Activity of Selected Organs of Sambucus nigra L. via Enzyme Assay and Molecular Docking Study

Abstract

The purpose of this study is to shed light on the phenolics content and the presence of different classes of constituents in the flowers, leaves, and stems of Sambucus nigra L. cultivated in Egypt along with screening out their cytotoxic activity. Colorimetric investigation revealed that all tested samples were rich in phenolics. HPLC qualitative analysis revealed the presence of different phenolics including chlorogenic acid and rutin that were isolated and identified using 1 H and 13 C NMR. The ethanolic extracts of the three organs, together with the two isolated phenolics, were tested for their cytotoxic activity against hepatocellular carcinoma, human lung adenocarcinoma, and human colon carcinoma. All tested samples were able to reduce the viability of the tested cell lines in a dose-response manner comparable to staurosporine as a reference drug. Molecular docking studies were performed for chlorogenic acid and rutin. Their ability to interact with the key amino acids in B-cell lymphoma 2 (Bcl-2) protein binding site rationalizes their pronouncing activity as proven by its docking pattern and docking score. The cytotoxic activity of the flowers, leaves, and stems of Sambucus nigra L. has been attributed to the synergetic effects of phenolic compounds, which affords the basis for investigations as promising candidates for discovering new anticancer drugs.

Elderberry (Sambucus nigra L.): Bioactive Compounds, Health Functions, and Applications

“…They could decrease the viability of the tested cell lines via the synergistic effects of (poly)phenolic compounds, and the molecular docking study indicated that chlorogenic acid and rutin had the ability to interact with key amino acids in the Bcl-2 binding site. 58 In T24 bladder carcinoma cells and MRC-5 human normal fibroblast cells, the cytotoxic activity of elderberry flower extracts could only be observable in T24 cells but not in MRC-5 cells, suggesting that the elderberry flower extracts are toxic to cancer cells but safe to normal cells, and flavonoids identified in the extract were possibly responsible for the cytotoxic activity. 59 Moreover, micellar solutions of pluronic F127 could enhance the cytotoxic activity.…”

“…The cytotoxic activity of the ethanolic extracts of the flowers, leaves, and stems of elderberry was also tested in human hepatocellular carcinoma, lung adenocarcinoma, and colon carcinoma cell lines, and it was found that all of the extracts had cytotoxic activities. They could decrease the viability of the tested cell lines via the synergistic effects of (poly)­phenolic compounds, and the molecular docking study indicated that chlorogenic acid and rutin had the ability to interact with key amino acids in the Bcl-2 binding site . In T24 bladder carcinoma cells and MRC-5 human normal fibroblast cells, the cytotoxic activity of elderberry flower extracts could only be observable in T24 cells but not in MRC-5 cells, suggesting that the elderberry flower extracts are toxic to cancer cells but safe to normal cells, and flavonoids identified in the extract were possibly responsible for the cytotoxic activity .…”