Ojo Oluwafemi Adeleke, Agboola Anthonia Oluyemi, Ogunro Olalekan Bukunmi, Iyobhebhe Matthew, Elebiyo Tobiloba Christiana, Rotimi Damilare Emmanuel, Ayeni Joy Folashade, Ojo Adebola Busola, Odugbemi Adeshina Isaiah, Egieyeh Samuel Ayodele, Oluba Olarewaju Michael
Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, 232101, Nigeria.
Department of Biochemistry, Wesley University, Ondo, Nigeria.
Heliyon. 2023 Jun 30;9(7):e17700. doi: 10.1016/j.heliyon.2023.e17700. eCollection 2023 Jul.
The purpose of this study was to investigate the protective effect of Beta vulgaris leaf extract (BVLE) on Fe2+-induced oxidative testicular damage via experimental and computational models. Oxidative testicular damage was induced via incubation of testicular tissue supernatant with 0.1 mM FeSO4 for 30 min at 37 °C. Treatment was achieved by incubating the testicular tissues with BVLE under the same conditions. The catalase (CAT), superoxide dismutase (SOD), glutathione (GSH), malondialdehyde (MDA), and nitric oxide (NO) levels, acetylcholinesterase (AChE), sodium-potassium adenosine triphosphatase (Na+/K + ATPase), ecto-nucleoside triphosphate diphosphohydrolase (ENTPDase), glucose-6-phosphatase (G6Pase), and fructose-1,6-bisphosphatase (F-1,6-BPase) were all measured in the tissues. We identified the bioactive compounds present using high-performance liquid chromatography (HPLC). Molecular docking and dynamic simulations were done on all identified compounds using a computational approach. The induction of testicular damage (p < 0.05) decreased the activities of GSH, SOD, CAT, and ENTPDase. In contrast, induction of testicular damage also resulted in a significant increase in MDA and NO levels and an increase in ATPase, G6Pase, and F-1,6-BPase activities. BVLE treatment (p < 0.05) reduced these levels and activities compared to control levels. An HPLC investigation revealed fifteen compounds in BVLE, with quercetin being the most abundant. The molecular docking and MDS analysis of the present study suggest that schaftoside may be an effective allosteric inhibitor of fructose 1,6-bisphosphatase based on the interacting residues and the subsequent effect on the dynamic loop conformation. These findings indicate that B. vulgaris can protect against Fe2+-induced testicular injury by suppressing oxidative stress, acetylcholinesterase, and purinergic activities while regulating carbohydrate dysmetabolism.
本研究旨在通过实验和计算模型,探究甜菜叶提取物(BVLE)对Fe2+诱导的睾丸氧化损伤的保护作用。通过在37℃下将睾丸组织上清液与0.1 mM硫酸亚铁孵育30分钟来诱导睾丸氧化损伤。在相同条件下用BVLE孵育睾丸组织进行处理。测定了组织中过氧化氢酶(CAT)、超氧化物歧化酶(SOD)、谷胱甘肽(GSH)、丙二醛(MDA)、一氧化氮(NO)水平,乙酰胆碱酯酶(AChE)、钠钾腺苷三磷酸酶(Na+/K + ATPase)、胞外核苷三磷酸二磷酸水解酶(ENTPDase)、葡萄糖-6-磷酸酶(G6Pase)和果糖-1,6-二磷酸酶(F-1,6-BPase)的活性。我们使用高效液相色谱(HPLC)鉴定了其中存在的生物活性化合物。使用计算方法对所有鉴定出的化合物进行了分子对接和动力学模拟。睾丸损伤的诱导(p < 0.05)降低了GSH、SOD、CAT和ENTPDase的活性。相反,睾丸损伤的诱导还导致MDA和NO水平显著升高以及ATPase、G6Pase和F-1,6-BPase活性增加。与对照水平相比,BVLE处理(p < 0.05)降低了这些水平和活性。HPLC研究在BVLE中发现了15种化合物,其中槲皮素含量最高。本研究的分子对接和MDS分析表明,基于相互作用的残基以及对动态环构象的后续影响,schaftoside可能是果糖1,6-二磷酸酶的有效变构抑制剂。这些发现表明,甜菜可以通过抑制氧化应激、乙酰胆碱酯酶和嘌呤能活性,同时调节碳水化合物代谢紊乱,来预防Fe2+诱导的睾丸损伤。