Majhi Sagarika, Vinayak Chaitanya, Chauhan Iti, Verma Madhu, Sharma Sourabh
Department of Pharmacology, I.T.S College of Pharmacy, Ghaziabad, India.
Department of Pharmaceutical Chemistry, I.T.S College of Pharmacy, Ghaziabad, India.
Recent Adv Inflamm Allergy Drug Discov. 2025;19(1):71-78. doi: 10.2174/0127722708307894240624105514.
Alopecia is defined by a loss of hair density and is often considered a symptom of multiple illnesses, such as infection and inflammation.
The molecular mechanisms underlying the hair-promoting effects include inhibition of 5α-reductase activity, reducing the binding affinity of Dihydrotestosterone (DHT) to androgen receptors, and decreasing/down-regulating TGF-β2 activity, which have a suggestive role in androgenetic alopecia. Finasteride and minoxidil are the approved non-surgical treatment alternatives for hair loss, but they cause side effects in patients. Therefore, bioactive phytoconstituents with multiple targets can be used to find novel, secure, and efficacious hair-promoting medicinal products.
This study has carried out the evaluation of berberine using various software. To find possible interactions between the 5α-reductase enzyme and Transforming Growth Factor-- beta 2 (TGF-β2), a critical protein involved in the human hair development cycle, computer-aided drug discovery was employed.
According to studies, berberine has been found to bind well to the 4K7a and 6M2N binding sites. The drug has been found to adhere to Lipinski's rule of five, and its pharmacokinetic characteristics were noteworthy. Drug-likeness and Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties showed appreciable results. Furthermore, berberine showed docking scores of -8.4 (5α-reductase) and -7.1 (TGF-β2), which were significantly better than minoxidil (-4.8, -3.2). In general, the drug exhibited improved binding interactions, and the possible toxicity investigations provided very little basis for risk prediction.
The current protocol has offered experimental support for berberine's possible therapeutic use in reducing male pattern baldness. Therefore, it can be a possible target for the therapy of androgenetic alopecia through the regulation of TGF-β2 and 5α-reductase activity.
脱发定义为头发密度降低,通常被认为是多种疾病的症状,如感染和炎症。
促进头发生长作用的分子机制包括抑制5α-还原酶活性、降低双氢睾酮(DHT)与雄激素受体的结合亲和力以及降低/下调转化生长因子-β2(TGF-β2)活性,这些在雄激素性脱发中具有提示作用。非那雄胺和米诺地尔是已获批的脱发非手术治疗药物,但它们会给患者带来副作用。因此,具有多种靶点的生物活性植物成分可用于寻找新型、安全且有效的促进头发生长的药品。
本研究使用各种软件对小檗碱进行了评估。为了找到5α-还原酶与转化生长因子-β2(TGF-β2,一种参与人类头发生长周期的关键蛋白)之间可能的相互作用,采用了计算机辅助药物发现方法。
根据研究,已发现小檗碱与4K7a和6M2N结合位点结合良好。该药物符合Lipinski五规则,其药代动力学特征值得关注。类药性以及吸收、分布、代谢、排泄和毒性(ADMET)特性显示出可观的结果。此外,小檗碱对5α-还原酶和TGF-β2的对接分数分别为-8.4和-7.1,明显优于米诺地尔(-4.8,-3.2)。总体而言,该药物表现出更好的结合相互作用,而可能的毒性研究为风险预测提供的依据很少。
当前方案为小檗碱在减少男性型秃发方面的可能治疗用途提供了实验支持。因此,通过调节TGF-β2和5α-还原酶活性,它可能成为雄激素性脱发治疗的一个靶点。