Department of Health Functional Food, Gwangju University, Gwangju 61743, Republic of Korea.
Hyundai F&B Co., Ltd., Gwangju 61200, Republic of Korea.
Int J Mol Sci. 2023 Aug 28;24(17):13319. doi: 10.3390/ijms241713319.
The primary objectives of this study were to assess the inhibitory effects of L. extract (AAE) and its derived organosulfur and polyphenolic compounds on the enzymatic activities of cGMP-specific PDE V (PDE5) and aminopeptidase N (APN). Additionally, the study aimed to investigate their potential as inhibitors against these two target enzymes through kinetic analyses and molecular docking studies. The in vitro enzyme assays demonstrated that both AAE and its derived compounds significantly decreased the activity of PDE5 and APN. Further analyses involving kinetics and molecular docking provided insights into the specific inhibitor types of AAE and its derived compounds along with the proposed molecular docking models illustrating the interactions between the ligands (the compounds) and the enzymes (PDE5 and APN). In particular, AAE-derived polyphenolic compounds showed relatively stable binding affinity (-7.2 to -8.3 kcal/mol) on PDE5 and APN. Our findings proved the potential as an inhibitor against PDE5 and APN of AAE and AAE-derived organosulfur and polyphenolic compounds as well as a functional material for erectile dysfunction improvement.
本研究的主要目的是评估 L.提取物（AAE）及其衍生的有机硫和多酚化合物对 cGMP 特异性 PDE V（PDE5）和氨肽酶 N（APN）的酶活性的抑制作用。此外，该研究旨在通过动力学分析和分子对接研究探讨它们作为这两种靶酶抑制剂的潜力。体外酶试验表明，AAE 及其衍生化合物均能显著降低 PDE5 和 APN 的活性。进一步的动力学和分子对接分析深入了解了 AAE 及其衍生化合物的具体抑制剂类型以及提出的分子对接模型，这些模型说明了配体（化合物）与酶（PDE5 和 APN）之间的相互作用。特别是，AAE 衍生的多酚化合物对 PDE5 和 APN 表现出相对稳定的结合亲和力（-7.2 至-8.3 kcal/mol）。我们的研究结果证明了 AAE 及其衍生的有机硫和多酚化合物作为 PDE5 和 APN 的抑制剂以及改善勃起功能障碍的功能材料的潜力。
