Mohamed Almahi I, Beseni Brian K, Msomi Nontokozo Z, Salau Veronica F, Erukainure Ochuko L, Aljoundi Aimen, Islam Md Shahidul
Department of Biochemistry, University of KwaZulu-Natal, Durban, South Africa.
Department of Pharmacology, University of the Free State, Bloemfontein, South Africa.
J Biomol Struct Dyn. 2022;40(22):12075-12087. doi: 10.1080/07391102.2021.1967197. Epub 2021 Aug 28.
In this study, the rhizome of L was investigated for its antioxidant and antidiabetic effects using and experimental models. Its crude extracts (ethyl acetate, ethanol and aqueous) were screened for their antioxidant activity using ferric-reducing antioxidant power (FRAP) and 1,1-diphenyl-2-picrylhydrazyl (DPPH), as well as their inhibitory effect on α-glucosidase enzyme. Subsequently, the extracts were subjected to Gas Chromatography-Mass Spectrometry (GC-MS) analysis to elucidate their possible bioactive compounds. Furthermore, computational molecular docking of selected phenolic compounds was conducted to determine their mode of α-glucosidase inhibitory activity. The aqueous extract displayed the highest level of total phenolic content and significantly higher scavenging activity in both FRAP and DPPH assays compared to ethyl acetate and ethanol extracts. In FRAP and DPPH assays, IC values of aqueous extract were 448.626 µg/mL and 418.74 µg/mL, respectively. Aqueous extract further presented higher α-glucosidase inhibitory activity with an IC value of 383.75 µg/mL. GC-MS analysis revealed the presence of the following phenolic compounds: 4-methyl-2-(2,4,4-trimethylpentan-2-yl) phenol, Phenol,2-methyl-4-(1,1,3,3-tetramethylbutyl)- and 1-ethoxy-2-isopropylbenzene. Molecular docking study revealed 1-ethoxy-2-isopropylbenzene formed two hydrogen bonds with the interacting residues in the active site of α-glucosidase enzyme. Furthermore, 4-methyl-2-(2,4,4-trimethylpentan-2-yl) phenol had the lowest binding energy inferring the best affinity for α-glucosidase active site. These results suggest the possible antioxidant and antidiabetic potential of .Communicated by Ramaswamy H. Sarma.
在本研究中，使用[具体实验模型1]和[具体实验模型2]实验模型研究了L的根茎的抗氧化和抗糖尿病作用。使用铁还原抗氧化能力（FRAP）和1,1-二苯基-2-苦基肼（DPPH）对其粗提物（乙酸乙酯、乙醇和水提取物）进行抗氧化活性筛选，以及它们对α-葡萄糖苷酶的抑制作用。随后，对提取物进行气相色谱-质谱（GC-MS）分析，以阐明其可能的生物活性化合物。此外，对选定的酚类化合物进行了计算分子对接，以确定它们对α-葡萄糖苷酶抑制活性的模式。水提取物显示出最高水平的总酚含量，并且与乙酸乙酯和乙醇提取物相比，在FRAP和DPPH测定中具有显著更高的清除活性。在FRAP和DPPH测定中，水提取物的IC值分别为448.626μg/mL和418.74μg/mL。水提取物进一步表现出更高的α-葡萄糖苷酶抑制活性，IC值为383.75μg/mL。GC-MS分析揭示了以下酚类化合物的存在：4-甲基-2-(2,4,4-三甲基戊-2-基)苯酚、苯酚、2-甲基-4-(1,1,3,3-四甲基丁基)-和1-乙氧基-2-异丙基苯。分子对接研究表明，1-乙氧基-2-异丙基苯与α-葡萄糖苷酶活性位点的相互作用残基形成了两个氢键。此外，4-甲基-2-(2,4,4-三甲基戊-2-基)苯酚具有最低的结合能，推断其对α-葡萄糖苷酶活性位点具有最佳亲和力。这些结果表明[L的根茎]可能具有抗氧化和抗糖尿病潜力。由Ramaswamy H. Sarma传达。
