Diabetes mellitus has been recognized as one of the most challenging public health problems in the 21st century. The present study aimed to investigate the antidiabetic potential of 18 selected Lamiaceae representatives on yeast α-glucosidase and further translate experimental data into predicted human α-glucosidase inhibition. Since conventional antidiabetic drugs exhibit numerous unavoidable side effects, plant extracts are being increasingly explored as safer alternatives. Plant extracts were prepared by maceration, characterized by liquid chromatography-mass spectrometry (LC-MS), and subjected to in vitro determination of yeast α-glucosidase inhibitory potential, after which the kinetic study of one of the most potent extracts (Mentha × piperita) was performed. Docking simulations were done on both yeast and human α-glucosidase to explore binding modes and energies of the secondary metabolites identified in the examined extracts. Finally, the dynamical model has been constructed (adjR² = 0.9885) and applied to explore extracts’ inhibition potential onto the human α-glucosidase. The constructed dynamical model revealed, for the first time, that different extracts of Satureja montana represent highly promising candidates for the prevention/treatment of diabetes mellitus. Therefore, the dynamical model described in this study represents a useful tool and a significant advance in the discovery of novel therapeutics with antidiabetic potential in humans.

糖尿病已被公认为21世纪最具挑战性的公共卫生问题之一。本研究旨在研究 18 种选定的唇形科代表对酵母 α-葡萄糖苷酶的抗糖尿病潜力，并将实验数据进一步转化为预测的人类 α-葡萄糖苷酶抑制作用。由于传统的抗糖尿病药物表现出许多不可避免的副作用，因此越来越多地探索植物提取物作为更安全的替代品。通过浸渍制备植物提取物，通过液相色谱-质谱 (LC-MS) 表征，并在体外测定酵母 α-葡萄糖苷酶抑制潜力，然后对最有效的提取物之一 ( Mentha × piperita ) 进行动力学研究) 进行。对酵母和人 α-葡萄糖苷酶进行了对接模拟，以探索在检查的提取物中鉴定的次级代谢物的结合模式和能量。最后，构建了动力学模型（adjR ² = 0.9885）并应用于探索提取物对人α-葡萄糖苷酶的抑制潜力。所构建的动力学模型首次揭示了蒙大拿州的不同提取物代表了预防/治疗糖尿病的极有希望的候选者。因此，本研究中描述的动力学模型代表了一种有用的工具，并且在发现具有人类抗糖尿病潜力的新疗法方面取得了重大进展。