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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
- Source :
- Molecules, Volume 26, Issue 3, Molecules, Vol 26, Iss 577, p 577 (2021)
- Publication Year :
- 2021
- Publisher :
- MDPI AG, 2021.
-
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&rsquo<br />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-II&beta<br />(h-TOP-II&beta<br />) were conducted to confirm the plant&rsquo<br />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&prime<br />&prime<br />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&ndash<br />15.63 &micro<br />g/mL, as compared to the positive controls (15.63&ndash<br />31.25 &micro<br />g/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 &micro<br />g/mL against MCF-7, HCT-116, and HepG2 cell-lines, respectively, together with the inhibition of h-TOP-II&beta<br />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&rsquo<br />s extract. The study helped to authenticate some of the traditional phytomedicinal properties of the anti-infectious nature of the plant.
- Subjects :
- human topoisomerase-IIβ
HepG2
chemical profile
HCT-116
Pharmaceutical Science
01 natural sciences
Analytical Chemistry
Aspergillus fumigatus
lcsh:QD241-441
03 medical and health sciences
chemistry.chemical_compound
lcsh:Organic chemistry
Staph Gyrase B
Drug Discovery
anti-biofilm
Physical and Theoretical Chemistry
IC50
anti-cancer
030304 developmental biology
0303 health sciences
anti-microbial
Traditional medicine
biology
Escherichia coli
010401 analytical chemistry
Organic Chemistry
Biofilm
Coumarin
Antimicrobial
biology.organism_classification
Symptomatic relief
0104 chemical sciences
Pseudomonas aeruginosa
Candida albicans
chemistry
Phytochemical
Chemistry (miscellaneous)
Docking (molecular)
LC-ESI-TOF-MS
Molecular Medicine
MCF-7
Zygophyllum coccineum
Staphylococcus pneumoniae
Subjects
Details
- ISSN :
- 14203049
- Volume :
- 26
- Database :
- OpenAIRE
- Journal :
- Molecules
- Accession number :
- edsair.doi.dedup.....440ec57c39ca617f332f46a0ef70ab82