Faculty of Basic Medical Sciences, Department of Physiology, Ladoke Akintola University of Technology, Ogbomosho, P.M.B. 4000, Nigeria.
Faculty of Basic Medical Sciences, College of Medicine, Ekiti State University, Ado-Ekiti, Nigeria.
Appl Biochem Biotechnol. 2023 Aug;195(8):4936-4964. doi: 10.1007/s12010-023-04557-z. Epub 2023 Apr 28.
Erectile dysfunction (ED) is a major challenge for men. The drugs for its treatment are associated with side effects. Hence, in phytomedicinal research, where Anonna senegalensis (A. senegalensis) is a candidate with abundant phytochemicals possessing various pharmacological properties, but the sex-enhancing phytochemical is elusive in the literature. This study aimed to understand the molecular interaction of its potent molecule mediating male sexual enhancement. A library of 69 compounds from A. senegalensis was docked against the ED-targeted proteins. Sildenafil citrate was used as the reference standard. Thereafter, the lead compound was screened for drug-likeness by applying the Lipinski rule of 5 (RO5), pharmacokinetic properties, and bioactivity using SwissADME and Molinspiration web servers, respectively. The results show catechin as the lead phytochemical compound with a stronger binding affinity for most of the proteins of ED. Also, catechin demonstrates good compliance with the RO5, great pharmacokinetic profiles, and could be said to be a polypharmacological molecule with good bioactivity scores. The research findings unravel the potential of catechin (a phytochemical belonging to the flavonoids class) from A. senegalensis leaf as a potential male sexual enhancement molecule via its high binding affinity for most erectile dysfunction-targeted proteins. They may require further toxicity and therapeutic evaluations in vivo.
勃起功能障碍（ED）是男性面临的主要挑战。治疗这种疾病的药物会产生副作用。因此，在植物药研究中，非洲木瓜（A. senegalensis）是一种候选植物，它含有丰富的具有多种药理学特性的植物化学物质，但在文献中仍未发现具有增强性功能的植物化学物质。本研究旨在了解介导男性性增强的其有效分子的分子相互作用。从非洲木瓜中提取了 69 种化合物的文库，并对 ED 靶向蛋白进行了对接。枸橼酸西地那非被用作参考标准。此后，通过应用 Lipinski 规则 5（RO5）、瑞士 ADME 和 Molinspiration 网络服务器分别进行药物相似性、药代动力学特性和生物活性筛选，筛选出先导化合物。结果表明，儿茶素是一种主要蛋白具有较强结合亲和力的植物化学物质。此外，儿茶素与 RO5 具有良好的一致性，具有良好的药代动力学特征，可以说是一种具有良好生物活性评分的多效性分子。研究结果表明，来自非洲木瓜叶的儿茶素（属于类黄酮类的一种植物化学物质）作为一种潜在的男性性增强分子，具有很高的结合亲和力，可针对大多数 ED 靶向蛋白。它们可能需要进一步进行体内毒性和治疗评估。
