Phytochemical Analysis, Antioxidant, and Antimicrobial Activities of <i>Ducrosia flabellifolia:</i> A Combined Experimental and Computational Approaches
Mejdi Snoussi,
Iqrar Ahmad,
Abdullah M. A. Aljohani,
Harun Patel,
Mohammad A. Abdulhakeem,
Yasser S. Alhazmi,
Bektas Tepe,
Mohd Adnan,
Arif J. Siddiqui,
Cengiz Sarikurkcu,
Badraoui Riadh,
Vincenzo De Feo,
Mousa Alreshidi,
Emira Noumi
Affiliations
Mejdi Snoussi
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Iqrar Ahmad
Division of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur 425405, Maharashtra, India
Abdullah M. A. Aljohani
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Harun Patel
Division of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur 425405, Maharashtra, India
Mohammad A. Abdulhakeem
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Yasser S. Alhazmi
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Bektas Tepe
Department of Molecular Biology and Genetics, Faculty of Science and Literature, TR-79000 Kilis, Turkey
Mohd Adnan
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Arif J. Siddiqui
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Cengiz Sarikurkcu
Faculty of Pharmacy, Afyonkarahisar Health Sciences University, TR-03100 Afyonkarahisar, Turkey
Badraoui Riadh
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Vincenzo De Feo
Department of Pharmacy, University of Salerno, Via Giovanni Paolo II, 132, Fisciano, 84084 Salerno, Italy
Mousa Alreshidi
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Emira Noumi
Department of Biology, College of Science, University of Hail, Ha’il 2440, Saudi Arabia
Ducrosia flabellifolia Boiss. is a rare desert plant known to be a promising source of bioactive compounds. In this paper, we report for the first time the phytochemical composition and biological activities of D. flabellifolia hydroalcoholic extract by using liquid chromatography–electrospray tandem mass spectrometry (ESI-MS/MS) technique. The results obtained showed the richness of the tested extract in phenols, tannins, and flavonoids. Twenty-three phytoconstituents were identified, represented mainly by chlorogenic acid, followed by ferulic acid, caffeic acid, and sinapic acid. The tested hydroalcoholic extract was able to inhibit the growth of all tested bacteria and yeast on agar Petri dishes at 3 mg/disc with mean growth inhibition zone ranging from 8.00 ± 0.00 mm for Enterococcus cloacae (E. cloacae) to 36.33 ± 0.58 mm for Staphylococcus epidermidis. Minimal inhibitory concentration ranged from 12.5 mg/mL to 200 mg/mL and the hydroalcoholic extract from D. flabellifolia exhibited a bacteriostatic and fungistatic character. In addition, D. flabellifolia hydroalcoholic extract possessed a good ability to scavenge different free radicals as compared to standard molecules. Molecular docking studies on the identified phyto-compounds in bacterial, fungal, and human peroxiredoxin 5 receptors were performed to corroborate the in vitro results, which revealed good binding profiles on the examined protein targets. A standard atomistic 100 ns dynamic simulation investigation was used to further evaluate the interaction stability of the promising phytocompounds, and the results showed conformational stability in the binding cavity. The obtained results highlighted the medicinal use of D. flabellifolia as source of bioactive compounds, as antioxidant, antibacterial, and antifungal agent.
