Biologically active compounds from two members of the Asteraceae family: <i>Tragopogon dubius</i> Scop. and <i>Tussilago farfara</i> L.

<i>Tragopogon dubius</i> and <i>Tussilago farfara</i> are consumed as vegetables and used in folk medicine to manage common diseases. Herein, the chemical compositions and biological activities of different leaf extracts (ethyl acetate, methanol, and water) of <i>T. dubius</i> and <i>T. farfara</i> were evaluated. The antibacterial, antifungal, and antioxidant abilities of the extracts were tested using different assays including free radical scavenging, reducing power, phosphomolybdenum, and metal chelating assays. Enzyme inhibitory potentials were evaluated against cholinesterases, tyrosinase, α-amylase and α-glucosidase. Complexes of bioactive compounds (chlorogenic and rosmarinic acid) were docked into the enzymatic cavity of α-glucosidase and subjected to molecular dynamic calculation, enzyme conformational stability, and flexibility analysis. <i>T. dubius</i> and <i>T. farfara</i> extracts showed remarkable antioxidant potentials. Ethyl acetate extracts of <i>T. dubius</i> and <i>T. farfara</i> were the most potent inhibitors of acetylcholinesterase and butyrylcholinesterase. <i>T. dubius</i> ethyl acetate extract and <i>T. farfara</i> methanolic extract showed noteworthy activity against α-glucosidase. High performance liquid chromatography analysis revealed the abundance of some phenolic compounds including chlorogenic and rosmarinic acids. Ethyl acetate extract of <i>T. dubius</i> showed notable antifungal activity against all strains. Docking studies showed best pose for chlorogenic acid was stabilized by a network of hydrogen bonds with residues Asp1157, Asp1279, whereas rosmarinic acid showed several hydrogen bonds with Asp1157, Asp1420, Asp1526, Lys1460 and Trp1369. This study further validates the use of <i>T. dubius</i> and <i>T. farfara</i> in traditional medicine, as well as act as a stimulus for further studies for future biomedicine development. Communicated by Ramaswamy H. Sarma婆罗门参（*Tragopogon dubius*）与款冬（*Tussilago farfara*）可作为蔬菜食用，且在民间医药中用于调理常见疾病。本研究对婆罗门参与款冬的不同叶片提取物（乙酸乙酯提取物、甲醇提取物及水提取物）的化学成分与生物学活性展开了评价。本研究通过自由基清除、还原力、磷钼酸还原及金属螯合等多种实验方法，检测了提取物的抗菌、抗真菌与抗氧化能力；同时针对胆碱酯酶、酪氨酸酶、α-淀粉酶与α-葡萄糖苷酶，评估了提取物的酶抑制活性。将绿原酸与迷迭香酸这两种生物活性化合物分别对接至α-葡萄糖苷酶的酶活性空腔中，并开展分子动力学计算、酶构象稳定性与柔性分析。 婆罗门参与款冬的提取物均展现出优异的抗氧化活性。婆罗门参与款冬的乙酸乙酯提取物，对乙酰胆碱酯酶与丁酰胆碱酯酶均展现出最强的抑制活性。婆罗门参乙酸乙酯提取物与款冬甲醇提取物，对α-葡萄糖苷酶亦表现出显著的抑制活性。高效液相色谱分析结果显示，两种植物中均含有丰富的酚类物质，包括绿原酸与迷迭香酸。婆罗门参的乙酸乙酯提取物，对所有供试菌株均表现出显著的抗真菌活性。 分子对接研究结果表明，绿原酸的最优结合构象通过与天冬氨酸残基Asp1157、Asp1279形成的氢键网络实现稳定；而迷迭香酸则通过与Asp1157、Asp1420、Asp1526、赖氨酸残基Lys1460以及色氨酸残基Trp1369形成的多个氢键维持结合状态。本研究进一步验证了婆罗门参与款冬在传统医药中的应用价值，同时也为未来生物医药领域的相关研究提供了参考与激励。本文由Ramaswamy H. Sarma通讯刊发。