Antifungal activity of citronellal against Trichophyton rubrum and its predictive mechanism of action by CYP51 inhibition through molecular docking.

IF 1.9 3区化学 Q3 CHEMISTRY, APPLIED Natural Product Research Pub Date : 2024-12-01 Epub Date: 2023-11-07 DOI:10.1080/14786419.2023.2277352

Francisco Patricio de Andrade Júnior, Rawny Galdino Gouveia, Cássio Ilan Soares Medeiros, Bráulio de Almeida Teixeira, Brenda Kercya da Silva Farias, Nayana da Rocha Oliveira, Daniele de Figuerêdo Silva, Edeltrudes de Oliveira Lima

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Abstract

The present study aimed to investigate the antifungal activity of citronellal (CIT) against clinical isolates of T. rubrum and to show the possible mechanism of action involved. The antifungal potential of CIT was evaluated from the Minimum Inhibitory Concentration (MIC), Minimum Fungicide Concentration (MFC) and assays with ergosterol and sorbitol, to elucidate the possible mechanisms of action, and molecular docking. MIC and MFC values ranged from 4 to 512 µg/mL. Regarding the mechanism of action, the monoterpene demonstrated interaction with fungal ergosterol. In addition, it is possible to observe that CIT acts on crucial enzymes for the biosynthesis and maintenance of the fungal cell membrane, due to the ability of the monoterpene to bind to CYP51. The results obtained in this research demonstrate that CIT has the potential to become, in the future, a product for the treatment of dermatophytosis.

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香茅醛对红色毛癣菌的抗真菌活性及其通过分子对接抑制CYP51的预测作用机制。

本研究旨在研究香茅醛（CIT）对红色葡萄球菌临床分离株的抗真菌活性，并揭示其可能的作用机制。通过最低抑菌浓度（MIC）、最低杀菌剂浓度（MFC）以及麦角甾醇和山梨醇的测定来评估CIT的抗真菌潜力，以阐明其可能的作用机制和分子对接。MIC和MFC值范围从4到512 µg/mL。在作用机制方面，单萜与真菌麦角甾醇相互作用。此外，由于单萜与CYP51结合的能力，可以观察到CIT作用于真菌细胞膜生物合成和维持的关键酶。这项研究的结果表明，CIT有潜力在未来成为治疗皮肤真菌病的产品。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Natural Product Research 化学-医药化学

CiteScore

5.10

自引率

9.10%

发文量

605

审稿时长

2.1 months

期刊介绍： The aim of Natural Product Research is to publish important contributions in the field of natural product chemistry. The journal covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds. The communications include coverage of work on natural substances of land and sea and of plants, microbes and animals. Discussions of structure elucidation, synthesis and experimental biosynthesis of natural products as well as developments of methods in these areas are welcomed in the journal. Finally, research papers in fields on the chemistry-biology boundary, eg. fermentation chemistry, plant tissue culture investigations etc., are accepted into the journal. Natural Product Research issues will be subtitled either ""Part A - Synthesis and Structure"" or ""Part B - Bioactive Natural Products"". for details on this , see the forthcoming articles section. All manuscript submissions are subject to initial appraisal by the Editor, and, if found suitable for further consideration, to peer review by independent, anonymous expert referees. All peer review is single blind and submission is online via ScholarOne Manuscripts.