Saptarini Nyi Mekar, Mustarichie Resmi, Hasanuddin Silviana, Corpuz Mary Jho-Anne Tolentino
Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Sumedang 45363, West Java, Indonesia.
Department of Pharmacy, Universitas Mandala Waluya, Kendari 93561, Southeast Sulawesi, Indonesia.
Pharmaceuticals (Basel). 2024 Mar 16;17(3):380. doi: 10.3390/ph17030380.
Empirically, in Indonesia, the leaves of L. (candle bush or ketepeng cina) have been used as a topical antifungal agent. is a natural microorganism found in the human body. It is among the factors contributing to conditions such as pityriasis versicolor, a common, benign, superficial fungal infection of the skin that is closely associated with seborrheic dermatitis and dandruff. This study aimed to explore leaves, starting from determining antifungal activity against and the identification of major compounds in the ethyl acetate and n-hexane fractions, and then we carried out molecular docking of the major compounds in the n-hexane fraction to lanosterol 14-alpha demethylase. The method was the disc diffusion technique to test antifungal activity, LC-MS/MS for major compound identification, and homology modeling through Swiss Models for molecular docking. The fractions of ethyl acetate and n-hexane extract showed concentration-dependent antifungal activity against . The LCMS/MS analysis revealed five major compounds in the ethyl acetate and n-hexane fractions. The molecular docking demonstrated the highest binding affinity with stearidonic acid at -7.2 kcal/mol. It can be concluded that the compounds in the n-hexane fraction have antifungal activity against , as supported by both in vitro and in silico studies.
根据经验，在印度尼西亚，L.（烛台树或中国烛台树）的叶子已被用作局部抗真菌剂。是人体中发现的一种天然微生物。它是导致诸如花斑癣等疾病的因素之一，花斑癣是一种常见的、良性的、浅表皮肤真菌感染，与脂溢性皮炎和头皮屑密切相关。本研究旨在探索叶子，首先确定其对的抗真菌活性并鉴定乙酸乙酯和正己烷馏分中的主要化合物，然后对正己烷馏分中的主要化合物与羊毛甾醇14-α脱甲基酶进行分子对接。方法是采用纸片扩散技术测试抗真菌活性，用LC-MS/MS鉴定主要化合物，并通过瑞士模型进行同源建模以进行分子对接。乙酸乙酯和正己烷提取物的馏分对显示出浓度依赖性抗真菌活性。LCMS/MS分析揭示了乙酸乙酯和正己烷馏分中的五种主要化合物。分子对接表明硬脂酸的结合亲和力最高，为-7.2千卡/摩尔。可以得出结论，正己烷馏分中的化合物对具有抗真菌活性，体外和计算机模拟研究均支持这一点。
