Abstract：
Psidium guajava (Guava tree) is one of the most widely known species in the family Myrtaceae. The Guava tree has been reported for its potential antioxidant, anti-inflammatory, antimicrobial, and cytotoxic activities. In the current study, the chemical compositions of the n-hexane extract and the essential oil of P. guajava were investigated using the GC/MS analysis, along with an evaluation of their antioxidant potential, and an investigation into the enzyme inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BchE), tyrosinase, α-amylase, and α-glucosidase. Moreover, molecular docking of the major identified active sites of the target enzymes were investigated. The chemical characterization of the n-hexane extract and essential oil revealed that squalene (9.76%), α-tocopherol (8.53%), and γ-sitosterol (3.90%) are the major compounds in the n-hexane extract. In contrast, the major constituents of the essential oil are D-limonene (36.68%) and viridiflorol (9.68%). The n-hexane extract showed more antioxidant potential in the cupric reducing antioxidant capacity (CUPRAC), the ferric reducing power (FRAP), and the metal chelating ability (MCA) assays, equivalent to 70.80 ± 1.46 mg TE/g, 26.01 ± 0.97 mg TE/g, and 24.83 ± 0.35 mg EDTAE/g, respectively. In the phosphomolybdenum (PM) assay, the essential oil showed more antioxidant activity equivalent to 2.58 ± 0.14 mmol TE/g. The essential oil demonstrated a potent BChE and tyrosinase inhibitory ability at 6.85 ± 0.03 mg GALAE/g and 61.70 ± 3.21 mg KAE/g, respectively. The α-amylase, and α-glucosidase inhibitory activity of the n-hexane extract and the essential oil varied from 0.52 to 1.49 mmol ACAE/g. Additionally, the molecular docking study revealed that the major compounds achieved acceptable binding scores upon docking with the tested enzymes. Consequently, the P. guajava n-hexane extract and oil can be used as a promising candidate for the development of novel treatment strategies for oxidative stress, neurodegeneration, and diabetes mellitus diseases.
摘要：
番石榴（番石榴树）是桃金娘科中最广为人知的物种之一。番石榴树因其潜在的抗氧化剂而被报道，抗炎,抗菌，和细胞毒性活性。在目前的研究中,使用GC/MS分析研究了番石榴的正己烷提取物和精油的化学成分，以及对它们抗氧化潜力的评估，并对乙酰胆碱酯酶（AChE）的酶抑制作用进行了研究，丁酰胆碱酯酶(BchE),酪氨酸酶,α-淀粉酶,和α-葡萄糖苷酶。此外，研究了目标酶的主要鉴定活性位点的分子对接。正己烷提取物和精油的化学表征显示角鲨烯（9.76％），α-生育酚（8.53%），和γ-谷甾醇（3.90％）是正己烷提取物中的主要化合物。相比之下,精油的主要成分是D-柠檬烯（36.68％）和维里地氟罗（9.68％）。正己烷提取物在铜还原抗氧化能力（CUPRAC）中显示出更多的抗氧化潜力，三价铁还原力(FRAP)，和金属螯合能力（MCA）测定，相当于70.80±1.46mgTE/g，26.01±0.97mgTE/g，和24.83±0.35mgEDTAE/g，分别。在磷钼(PM)测定中，精油显示出更多的抗氧化活性，相当于2.58±0.14mmolTE/g。精油在6.85±0.03mgGALAE/g和61.70±3.21mgKAE/g时表现出有效的BChE和酪氨酸酶抑制能力，分别。α-淀粉酶,正己烷提取物和精油的α-葡萄糖苷酶抑制活性在0.52至1.49mmolACAE/g之间变化。此外,分子对接研究表明，主要化合物在与测试酶对接时获得了可接受的结合分数。因此,p.guajava 正己烷提取物和油可以用作开发氧化应激的新型治疗策略的有希望的候选者，神经变性,和糖尿病疾病。
