Department of Chemistry, Madras Christian College, Affiliated to University of Madras, Tambaram East, Chennai, Tamilnadu, India.
Nat Prod Res. 2022 Sep;36(17):4540-4545. doi: 10.1080/14786419.2021.1991339. Epub 2021 Oct 20.
is a mushroom species that demands a systematic study of its medicinal values. This study aims to explore the mycochemical contents of extract, and evaluate their anti-diabetic and antioxidant potency. Twelve organic compounds were identified using Gas Chromatogram-Mass Spectroscopy(GC-MS) analysis of the methanolic extract. All the mycochemicals identified were evaluated for their drug-likeness, pharmacokinetics and bioactivity using admetSAR and molinspiration webservers. The extract was evaluated for the inhibitory effect of α-amylase and DPPH free radical scavenging ability. To further support the anti-diabetic and antioxidant characteristic, molecular docking analysis was done for all the identified mycochemicals. It was found that, 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-tetrahydropyran-4-ylmethyl]-acetamide, one of the compounds in the extract shares structural similarity and comparable docking binding energy with natural α-amylase inhibitor. Further, the 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-tetrahydropyran-4-ylmethyl]-acetamide also showed high binding energy with Human peroxiredoxin 5 and has a structural relationship with natural antioxidants containing tetrahydropyran derivatives.
是一种蘑菇，需要对其药用价值进行系统研究。本研究旨在探索 的甲醇提取物中的菌化学物质含量，并评估其抗糖尿病和抗氧化能力。通过气相色谱-质谱联用仪（GC-MS）分析，从甲醇提取物中鉴定出 12 种有机化合物。使用 admetSAR 和 molinspiration webservers 评估所有鉴定出的菌化学物质的药物相似性、药代动力学和生物活性。评估了提取物对α-淀粉酶的抑制作用和 DPPH 自由基清除能力。为了进一步支持抗糖尿病和抗氧化特性，对所有鉴定出的菌化学物质进行了分子对接分析。结果发现，提取物中的一种化合物 2-(3,4-二甲氧基苯基）-N-[4-(4-甲氧基苯基）-四氢吡喃-4-基甲基]乙酰胺与天然α-淀粉酶抑制剂具有结构相似性和可比的对接结合能。此外，2-(3,4-二甲氧基苯基）-N-[4-(4-甲氧基苯基）-四氢吡喃-4-基甲基]乙酰胺与人类过氧化物酶 5 也表现出高结合能，并且与含有四氢吡喃衍生物的天然抗氧化剂具有结构关系。
