姜黄抗毛癣菌活性:化合物鉴定及与羊毛甾醇14α-去甲基化酶的分子对接。

IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE
A B Z Naimur Rahman, Md Fahad Patwary, Shinjon Ahmed, Mehraz Hossen, Md Hasibul Hossain, Md Shariful Islam, Rifat Rahman, Swagato Dutta, Khandokar Fahmida Sultana, Mohammad Salim Hossain, Firoz Ahmed, Sabuj Baran Dhar
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引用次数: 0

摘要

皮肤真菌感染的发病率不断增加,对传统抗真菌药物的耐药性不断上升,这就需要探索替代疗法。本研究通过体外和计算机技术的结合,研究了姜黄根茎提取物对皮肤真菌,特别是毛癣菌的抗真菌潜力。采用圆盘扩散法对姜黄醇提物的抑菌效果进行了评价,探讨了姜黄醇提物的抑菌效果。该提取物具有显著的抗真菌活性,抑菌区范围为10 ~ 25 mm。与氟康唑的对比分析表明,姜黄提取物对氟康唑耐药菌株也有效。GC-MS分析鉴定出11个主要化合物,以Curlone(44.19%)为主要成分。针对麦角甾醇生物合成的关键酶——羊毛甾醇14α-去甲基化酶进行分子对接研究,揭示了Curlone、α-姜黄烯、3-异丁基-6,7-二甲基- 3h -异苯并呋喃-1- 1和1-Bisabolone具有很强的结合亲和力。这些化合物表现出良好的相互作用,表明它们具有抑制真菌生长的作用。此外,ADME和毒性分析突出了Curlone优越的药代动力学和毒性特征,使其成为抗真菌治疗的有希望的候选药物。本研究认为,姜黄提取物作为传统抗真菌药物的天然替代品具有广阔的应用前景,值得进一步开展体内实验研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Antidermatophytic activity of Curcuma longa against Trichophyton spp.: compound identification and molecular docking to lanosterol 14α-demethylase.

Antidermatophytic activity of Curcuma longa against Trichophyton spp.: compound identification and molecular docking to lanosterol 14α-demethylase.

Antidermatophytic activity of Curcuma longa against Trichophyton spp.: compound identification and molecular docking to lanosterol 14α-demethylase.

Antidermatophytic activity of Curcuma longa against Trichophyton spp.: compound identification and molecular docking to lanosterol 14α-demethylase.

The increasing incidence of dermatophytic infections and rising resistance to conventional antifungal agents necessitates the exploration of alternative therapies. This study investigates the antifungal potential of Curcuma longa rhizome extract against dermatophytes, particularly Trichophyton species, through a combination of in vitro and in silico techniques. The methanolic extract of Curcuma longa was evaluated for its antifungal efficacy using the disc diffusion method against Trichophyton mentagrophytes, Trichophyton indotineae, and Trichophyton interdigitale. The extract demonstrated significant antifungal activity, with inhibition zones ranging from 10 to 25 mm. Comparative analysis with fluconazole revealed that Curcuma longa extract was effective even against fluconazole-resistant strains. GC-MS analysis identified eleven major compounds, with Curlone (44.19%) as the dominant component. Molecular docking studies targeted lanosterol 14α-demethylase, a key enzyme in ergosterol biosynthesis, revealing strong binding affinities of Curlone, α-Curcumene, 3-Isobutylidene-6,7-dimethyl-3H-isobenzofuran-1-one, and 1-Bisabolone. These compounds demonstrated favorable interactions, suggesting their role in inhibiting fungal growth. Further, ADME and Toxicity analysis highlighted Curlone's superior pharmacokinetic and toxicity profile, making it a promising candidate for antifungal therapy. This study concludes that the extract of Curcuma longa shows promising potential as a natural alternative to traditional antifungal agents, and further investigation through in vivo studies is recommended.

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来源期刊
BMC Complementary Medicine and Therapies
BMC Complementary Medicine and Therapies INTEGRATIVE & COMPLEMENTARY MEDICINE-
CiteScore
6.10
自引率
2.60%
发文量
300
审稿时长
19 weeks
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