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Article

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

by
Hamdoon A. Mohammed
1,2,*,
Riaz A. Khan
1,*,
Atef A. Abdel-Hafez
1,
Marwa Abdel-Aziz
3,
Eman Ahmed
4,5,
Shymaa Enany
6,
Sebaey Mahgoub
5,7,
Osamah Al-Rugaie
8,
Mansour Alsharidah
9,
Mohamed S. A. Aly
10,
Ahmed B. M. Mehany
11 and
Mostafa M. Hegazy
2
1
Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Qassim University, Qassim 51452, Saudi Arabia
2
Department of Pharmacognosy, Faculty of Pharmacy, Al-Azhar University, Cairo 11371, Egypt
3
Regional Center for Mycology and Biotechnology (RCMB), Al-Azhar University, Cairo 11371, Egypt
4
Department of Pharmacology, Faculty of Veterinary Medicine, Suez Canal University, Ismailia 41522, Egypt
5
Proteomics and Metabolomics Unit, Department of Basic Research, Children’s Cancer Hospital Egypt 57357, Cairo 11441, Egypt
6
Department of Microbiology and Immunology, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt
7
Department of Physiology, Faculty of Veterinary Medicine, Suez Canal University, Ismailia 41522, Egypt
8
Department of Basic Medical Sciences, College of Medicine and Medical Sciences, Qassim University, Unaizah, P.O. Box 991, Qassim 51911, Saudi Arabia
9
Department of Physiology, College of Medicine, Qassim University, Qassim 51452, Saudi Arabia
10
Hospital of the Police Academy, Nasr City, Cairo 11765, Egypt
11
Department of Zoology, Faculty of Science, Al-Azhar University, Cairo 11371, Egypt
 
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Molecules 2021, 26(3), 577; https://doi.org/10.3390/molecules26030577
Submission received: 5 December 2020 / Revised: 18 January 2021 / Accepted: 19 January 2021 / Published: 22 January 2021
(This article belongs to the Special Issue Novel Biologically Active Molecules, Biomaterials and Nanoparticles for the Microbial Biofilm Control in Human Medicine)
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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.
Keywords: Zygophyllum coccineum; chemical profile; LC-ESI-TOF-MS; anti-biofilm; anti-microbial; anti-cancer; MCF-7; HCT-116; HepG2; human topoisomerase-IIβ; Staph Gyrase B; Candida albicans; Staphylococcus pneumoniae; Pseudomonas aeruginosa; Escherichia coli Zygophyllum coccineum; chemical profile; LC-ESI-TOF-MS; anti-biofilm; anti-microbial; anti-cancer; MCF-7; HCT-116; HepG2; human topoisomerase-IIβ; Staph Gyrase B; Candida albicans; Staphylococcus pneumoniae; Pseudomonas aeruginosa; Escherichia coli

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MDPI and ACS Style

Mohammed, H.A.; Khan, R.A.; Abdel-Hafez, A.A.; Abdel-Aziz, M.; Ahmed, E.; Enany, S.; Mahgoub, S.; Al-Rugaie, O.; Alsharidah, M.; Aly, M.S.A.; et al. 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. Molecules 2021, 26, 577. https://doi.org/10.3390/molecules26030577

AMA Style

Mohammed HA, Khan RA, Abdel-Hafez AA, Abdel-Aziz M, Ahmed E, Enany S, Mahgoub S, Al-Rugaie O, Alsharidah M, Aly MSA, et al. 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. Molecules. 2021; 26(3):577. https://doi.org/10.3390/molecules26030577

Chicago/Turabian Style

Mohammed, Hamdoon A., Riaz A. Khan, Atef A. Abdel-Hafez, Marwa Abdel-Aziz, Eman Ahmed, Shymaa Enany, Sebaey Mahgoub, Osamah Al-Rugaie, Mansour Alsharidah, Mohamed S. A. Aly, and et al. 2021. "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" Molecules 26, no. 3: 577. https://doi.org/10.3390/molecules26030577

APA Style

Mohammed, H. A., Khan, R. A., Abdel-Hafez, A. A., Abdel-Aziz, M., Ahmed, E., Enany, S., Mahgoub, S., Al-Rugaie, O., Alsharidah, M., Aly, M. S. A., Mehany, A. B. M., & Hegazy, M. M. (2021). 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. Molecules, 26(3), 577. https://doi.org/10.3390/molecules26030577

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