Snoussi Mejdi, Ahmad Iqrar, Aljohani Abdullah M A, Patel Harun, Abdulhakeem Mohammad A, Alhazmi Yasser S, Tepe Bektas, Adnan Mohd, Siddiqui Arif J, Sarikurkcu Cengiz, Riadh Badraoui, Feo Vincenzo De, Alreshidi Mousa, Noumi Emira
Department of Biology, College of Science, University of Hail, P.O. Box 2440, Ha'il 2440, Saudi Arabia.
Laboratory of Genetics, Biodiversity and Valorization of Bio-Resources (LR11ES41), Higher Institute of Biotechnology of Monastir, University of Monastir, Avenue Tahar Haddad, BP74, Monastir 5000, Tunisia.
Antioxidants (Basel). 2022 Nov 2;11(11):2174. doi: 10.3390/antiox11112174.
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 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 () to 36.33 ± 0.58 mm for . Minimal inhibitory concentration ranged from 12.5 mg/mL to 200 mg/mL and the hydroalcoholic extract from exhibited a bacteriostatic and fungistatic character. In addition, 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 as source of bioactive compounds, as antioxidant, antibacterial, and antifungal agent.
博伊斯（Boiss.）是一种稀有的沙漠植物，已知是生物活性化合物的一个有前景的来源。在本文中，我们首次报告了使用液相色谱 - 电喷雾串联质谱（ESI - MS/MS）技术对水醇提取物的植物化学成分和生物活性进行的研究。所得结果表明，受试提取物富含酚类、单宁和黄酮类化合物。鉴定出了23种植物成分，主要以绿原酸为代表，其次是阿魏酸、咖啡酸和芥子酸。受试水醇提取物在3 mg/圆片时能够抑制琼脂平板上所有受试细菌和酵母的生长，平均生长抑制圈范围从（某细菌）的8.00 ± 0.00 mm到（另一细菌或酵母）的36.33 ± 0.58 mm。最低抑菌浓度范围为12.5 mg/mL至200 mg/mL，来自（某植物）的水醇提取物表现出抑菌和抑真菌特性。此外，与标准分子相比，（某植物）水醇提取物具有良好的清除不同自由基的能力。对在细菌、真菌和人类过氧化物还原酶5受体中鉴定出的植物化合物进行了分子对接研究，以证实体外实验结果，结果显示在检测的蛋白质靶点上具有良好的结合模式。使用标准的原子100 ns动态模拟研究进一步评估了有前景的植物化合物的相互作用稳定性，结果表明在结合腔内具有构象稳定性。所得结果突出了（某植物）作为生物活性化合物来源、抗氧化剂、抗菌剂和抗真菌剂的药用价值。
