作为一种发病率和死亡率增加的进行性神经系统疾病，阿尔茨海默病（AD）的特点是控制记忆和心理功能的神经元损伤。 Enicostema axillare (EA) 是一种在治疗类风湿关节炎、癌症和糖尿病方面具有战斗力和有效性的草药，从整体角度来看，它被用于印度民间医学。尽管这种草药被用于治疗多种疾病，但其对 AD 的生物活性的分子机制尚未被复杂的研究阐明。建立了基于 ADME 药物筛选和靶向、通路富集（GO 和 KEGG）以及网络药理学的独特药理学方法，以探索腋臭 (EA) 生物活性化合物治疗 AD 的分子机制。简而言之，我们揭示了 EA 的三种活性化合物和 AD 的七个潜在分子靶点，它们主要涉及四种信号通路，即 MAPK、细胞凋亡、神经变性和 TNF 通路。此外，活性化合物、分子靶标及其途径的网络分析揭示了化合物的药理学性质。此外，还进行了分子对接研究，以探索 EA 生物活性化合物与靶标之间的相互作用并检查结合亲和力。这项工作的结果反映了化合物通过调节关键蛋白来治疗AD的潜在治疗效果，这进一步证实了我们网络药理学分析的可靠性。这项研究不仅有助于了解药物的分子机制，还有助于通过现代医学寻找和筛选治疗 AD 和其他复杂疾病的新药。© 2023。作者，获得 Springer 独家许可瑞士自然股份公司。

As a progressive neurological disease with increased morbidity and mortality, Alzheimer Disease (AD) is characterized by neuron damage that controls memory and mental functions. Enicostema axillare (EA), an herb with a history of combativeness and effectiveness in treating Rheumatoid Arthritis, Cancer, and Diabetes, is used in Indian folk medicine from a holistic point of view. Though the herb is used for many illnesses, the molecular mechanism of its bioactive on AD has not been deciphered by intricate research. A unique pharmacology approach based on ADME drug screening and targeting, pathway enrichment (GO and KEGG), and network pharmacology, was established to explore the molecular mechanisms of E. axillare (EA) bioactive compounds for the treatment of AD. In brief, we bring to light the three active compounds of EA and seven potential molecular targets of AD, which are mainly implicated in four signaling pathways, i.e., MAPK, Apoptosis, neurodegeneration, and the TNF pathway. Moreover, the network analysis of the active compounds, molecular targets, and their pathways reveals the pharmacological nature of the compounds. Further, molecular docking studies were carried out to explore the interactions between the EA bioactive compounds and the targets and examine the binding affinity. The outcome of the work reflects the potential therapeutic effects of the compounds for treating AD through the modulation of the key proteins, which further corroborates the reliability of our network pharmacology analysis. This study not only helps in understanding the molecular mechanism of the drugs but also helps in finding and sorting new drugs for the treatment of AD, and other complex diseases through modern medicine.© 2023. The Author(s), under exclusive licence to Springer Nature Switzerland AG.