Phytochemical Profiling, In Vitro and In Silico Anti-Microbial and Anti-Cancer Activity Evaluations and Staph GyraseB and h-TOP-IIβ Receptor-Docking Studies of Major Constituents of Zygophyllum coccineum L. Aqueous-Ethanolic Extract and Its Subsequent Fractions: An Approach to Validate Traditional Phytomedicinal Knowledge

Abstract

Zygophyllum coccineum, an edible halophytic plant, is part of the traditional medicine chest in the Mediterranean region for symptomatic relief of diabetes, hypertension, wound healing, burns, infections, and rheumatoid arthritis pain. The current study aimed to characterize Z. coccineum phytoconstituents, and the evaluations of the anti-microbial-biofilm, and anti-cancers bioactivities of the plant’s mother liquor, i.e., aqueous-ethanolic extract, and its subsequent fractions. The in silico receptors interaction feasibility of Z. coccineum major constituents with Staph GyraseB, and human topoisomerase-IIβ (h-TOP-IIβ) were conducted to confirm the plant’s anti-microbial and anti-cancer biological activities. Thirty-eight secondary metabolites of flavonoids, stilbene, phenolic acids, alkaloids, and coumarin classes identified by LC-ESI-TOF-MS spectrometric analysis, and tiliroside (kaempferol-3-O-(6′′′′-p-coumaroyl)-glucoside, 19.8%), zygophyloside-F (12.78%), zygophyloside-G (9.67%), and isorhamnetin-3-O-glucoside (4.75%) were identified as the major constituents. A superior biofilm obliteration activity established the minimum biofilm eradication concentration (MBEC) for the chloroform fraction at 3.9–15.63 µg/mL, as compared to the positive controls (15.63–31.25 µg/mL) against all the microbial strains that produced the biofilm under study, except the Aspergillus fumigatus. The aqueous-ethanolic extract showed cytotoxic effects with IC50 values at 3.47, 3.19, and 2.27 µg/mL against MCF-7, HCT-116, and HepG2 cell-lines, respectively, together with the inhibition of h-TOP-IIβ with IC50 value at 45.05 ng/mL in comparison to its standard referral inhibitor (staurosporine, IC50, 135.33 ng/mL). This conclusively established the anti-cancer activity of the aqueous-ethanolic extract that also validated by in silico receptor-binding predicted energy levels and receptor-site docking feasibility of the major constituents of the plant’s extract. The study helped to authenticate some of the traditional phytomedicinal properties of the anti-infectious nature of the plant.

Comparative Phytochemical Profile and Biological Activity of Four Major Medicinal Halophytes from Qassim Flora

“…Secondary metabolites, flavonoids, and phenolics are also reported for their health benefits [ 53 , 54 ] and are known to possess pharmacological activities of different kinds, including antimicrobial [ 55 , 56 ], anticancer [ 55 , 57 , 58 ], and several other [ 59 , 60 , 61 ]. The results in Table 2 showed noticeable variations in the phenolics and flavonoids distributions among these investigated four plants.…”

Chemical Profile, Antioxidant, Antimicrobial, and Anticancer Activities of the Water-Ethanol Extract of Pulicaria undulata Growing in the Oasis of Central Saudi Arabian Desert

“…The phenolics and flavonoids were measured using Folin–Ciocalteu, and aluminum chloride reagents, respectively, as equivalents of the gallic acid and quercetin [ 40 ]. For the phenolics quantification, 0.2 mL of the 10% sodium carbonate solution was mixed with 1.6 mL of the extract (0.1 mg/mL in methanol), and 0.2 mL of the diluted Folin–Ciocalteu reagent (1:5, distilled water).…”

“…In addition, the anticancer potentials of the plant’s constituents against several other cancer cell-lines, including multi-drug resistance leukemic cell-lines, were also observed [ 9 , 29 ]. P. undulata volatile oils’ and plants’ extracts have also been exhibited to possess significant antioxidant properties, as measured through different assays (i.e., DPPH, ATBS, and FRAP), which supported the traditional herbalists’ claims regarding the plants’ beneficial effects as a nutraceutical, food-additive, tonic, salad, and as traditional medicine for alleviating various symptomatic malfunctioning of the human body [ 30 , 40 , 41 ].…”

Isolation, Characterization, Complete Structural Assignment, and Anticancer Activities of the Methoxylated Flavonoids from Rhamnus disperma Roots

“…Three cancerous cell lines, as well as one normal fibroblast cell line, were bought from the ATCC, USA: MCF 7 (human breast adenocarcinoma), A2780 (human ovary adenocarcinoma), HT 29 (human colon adenocarcinoma), and MRC5 (normal human fetal lung fibroblast). The culture procedure was performed as described in the literature [ 27 , 28 ]. Briefly, the cells were sub-cultured at 37 °C, 5% CO 2 , 95% air, and 100% relative humidity.…”