<b> </b><b>Experimental data of Hypotrachyna cirrhata (Fr.) Hale ex Sipman</b>

In general, the methanolic extract obtained from <i>H. cirrhata</i> contains diverse phytochemical compounds that contribute to treating various diseases. This study revealed notable antioxidant, anti-diabetic, and anti-bacterial attributes, displaying impressive IC₅₀ values and zones of inhibition in comparison to prior research. The anti-oxidant and alpha-glucosidase inhibition activities of the ethyl acetate extract of <i>H. cirrhata </i>were noteworthy, demonstrating an IC₅₀ value of 10.37 ± 0.62 for anti-oxidant activity and 1.17 ± 0.50 for alpha-glucosidase inhibition. The current investigation consolidates information on the bioactive elements in <i>H. cirrhata</i>, identified through LC-MS, facilitating the identification of eight lichen substances. A comprehensive molecular modeling analysis of the primary components, involving five compounds functioning as α-glucosidase binders, was conducted by considering both active and allosteric pockets as a result high binding energy was showed by salazinic acid with -9.9 kcal/mole. Computational analysis reveals the potent anti-diabetic properties of salazinic acid, as demonstrated through molecular docking, molecular dynamics simulations, ADMET analysis, and free energy calculations.总体而言，从<i>H. cirrhata</i>中提取的甲醇提取物含有多种植物化学成分，可用于治疗多种疾病。本研究发现该提取物具有显著的抗氧化、抗糖尿病及抗菌活性，其半抑制浓度（IC₅₀）值与抑菌圈尺寸均优于既往研究结果。<i>H. cirrhata</i>的乙酸乙酯提取物展现出突出的抗氧化活性与α-葡萄糖苷酶抑制活性，其中抗氧化活性的半抑制浓度（IC₅₀）为10.37±0.62，α-葡萄糖苷酶抑制活性的半抑制浓度为1.17±0.50。本研究通过液相色谱-质谱联用（LC-MS）技术鉴定了<i>H. cirrhata</i>中的生物活性成分，整合相关信息后共识别出8种地衣类物质。研究针对核心成分开展了全面的分子建模分析，涵盖5种可作为α-葡萄糖苷酶结合配体的化合物；分析同时考量了活性口袋与别构口袋，结果显示胭脂酸（salazinic acid）的结合能可达-9.9 kcal/mol。通过分子对接、分子动力学模拟、ADMET（吸收-分布-代谢-排泄-毒性）分析及自由能计算等手段进行的计算分析证实，胭脂酸具备强效的抗糖尿病活性。