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
{"title":"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。","authors":"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","doi":"10.1186/s12906-025-05049-9","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9128,"journal":{"name":"BMC Complementary Medicine and Therapies","volume":"25 1","pages":"321"},"PeriodicalIF":3.4000,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12403855/pdf/","citationCount":"0","resultStr":"{\"title\":\"Antidermatophytic activity of Curcuma longa against Trichophyton spp.: compound identification and molecular docking to lanosterol 14α-demethylase.\",\"authors\":\"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\",\"doi\":\"10.1186/s12906-025-05049-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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.</p>\",\"PeriodicalId\":9128,\"journal\":{\"name\":\"BMC Complementary Medicine and Therapies\",\"volume\":\"25 1\",\"pages\":\"321\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2025-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12403855/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"BMC Complementary Medicine and Therapies\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://doi.org/10.1186/s12906-025-05049-9\",\"RegionNum\":2,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"INTEGRATIVE & COMPLEMENTARY MEDICINE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"BMC Complementary Medicine and Therapies","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.1186/s12906-025-05049-9","RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"INTEGRATIVE & COMPLEMENTARY MEDICINE","Score":null,"Total":0}
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.