Sintos Aaron Marbyn L, Cabrera Heherson S
School of Chemical, Biological, and Materials Engineering and Sciences, Mapúa University, Manila 1002, Philippines.
Department of Biology, School of Health Sciences, Mapúa University, Makati 1200, Philippines.
Biology (Basel). 2024 Jul 4;13(7):497. doi: 10.3390/biology13070497.
Androgenetic alopecia (AGA) is the most prevalent hair loss disorder worldwide, driven by excessive sensitivity or response to androgen. Herbal extracts, such as Roxb., have shown promise in AGA treatment due to their anti-androgenic activities and hair growth effects. However, the precise mechanism of action remains unclear. Hence, this study aims to elucidate the active compounds, putative targets, and underlying mechanisms of for the therapy of AGA using network pharmacology and molecular docking. This study identified 66 bioactive compounds from targeting 59 proteins associated with AGA. Eight hub genes were identified from the protein-protein interaction network, namely, CASP3, AKT1, AR, IL6, PPARG, STAT3, HIF1A, and MAPK3. Topological analysis of components-targets network revealed trans-verbenol, myrtenal, carvone, alpha-atlantone, and isoaromandendrene epoxide as the core components with potential significance in AGA treatment. The molecular docking verified the binding affinity between the hub genes and core compounds. Moreover, the enrichment analyses showed that is involved in hormone response and participates in HIF-1 and MAPK pathways to treat AGA. Overall, this study contributes to understanding the potential anti-AGA mechanism of by highlighting its multi-component interactions with several targets involved in AGA pathogenesis.
雄激素性脱发（AGA）是全球最常见的脱发疾病，由对雄激素过度敏感或反应所致。草药提取物，如罗勒（Ocimum basilicum L.），因其抗雄激素活性和促进头发生长的作用，在AGA治疗中显示出前景。然而，其确切作用机制仍不清楚。因此，本研究旨在利用网络药理学和分子对接阐明罗勒治疗AGA的活性成分、潜在靶点及潜在机制。本研究从罗勒中鉴定出66种生物活性化合物，作用于59个与AGA相关的蛋白质。从蛋白质-蛋白质相互作用网络中鉴定出8个枢纽基因，即半胱天冬酶3（CASP3）、蛋白激酶B1（AKT1）、雄激素受体（AR）、白细胞介素6（IL6）、过氧化物酶体增殖物激活受体γ（PPARG）、信号转导和转录激活因子3（STAT3）、缺氧诱导因子1α（HIF1A）和丝裂原活化蛋白激酶3（MAPK3）。成分-靶点网络的拓扑分析显示，反式马鞭草烯醇、桃金娘醛、香芹酮、α-大西洋酮和异香树烯环氧为核心成分，在AGA治疗中具有潜在意义。分子对接验证了枢纽基因与核心化合物之间的结合亲和力。此外，富集分析表明，罗勒参与激素反应，并参与HIF-1和MAPK信号通路来治疗AGA。总体而言，本研究通过突出罗勒与AGA发病机制中多个靶点的多成分相互作用，有助于理解其潜在的抗AGA机制。
