An in vitro and in silico study of anti-dermatophytic activity of gossypol from fruits of Thespesia populnea(L.)Sol.ex Correa  

作　　者：Anuthara R Sebastian Jose Midhun Jyothis Mathew 

机构地区：[1]Microbiology Research Lab,School of Biosciences,Mahatma Gandhi University,Kottayam,Kerala,India

出　　处：《Asian Pacific Journal of Tropical Biomedicine》2021年第12期543-552,共10页亚太热带生物医学杂志（英文版）

摘　　要：Objective:To isolate,purify,and characterize gossypol from the fruits of Thespesia populnea(L)Sol.ex Correa,test its antidermatophytic activity,identify its targets on the dermatophyte,and confirm the binding of gossypol with the fungal target by molecular docking study.Methods:Gossypol from Thespesia populnea was characterized by high performance liquid chromatography,liquid chromatographmass spectrometry,Fourier transform infrared spectroscopy,and nuclear magnetic resonance.The anti-dermatophytic activity of gossypol was tested against four different dermatophytes,viz.Trichophyton mentagrophytes,Trichophyton rubrum,Microsporum canis,and Microsporum gypseum.Trichophyton mentagrophytes was selected for further studies.The inhibitory mode of action of gossypol on Trichophyton mentagrophytes was determined by analyzing the modulation of gene expression in various pathways of the dermatophyte.Results:Gossypol inhibited all the dermatophytes.The minimum inhibitory concentrations were 12.5μg/mL for Trichophyton mentagrophytes and Microsporum canis and 25μg/mL for Trichophyton rubrum and Microsporum gypseum.The minimum fungicidal concentrations were 50μg/mL for Trichophyton mentagrophytes,100μg/mL for Microsporum canis and Trichophyton rubrum,and 200μg/mL for Microsporum gypseum.Gossypol inhibited the mRNA expression of metalloprotease(MEP4)and isocitrate lyase(ICL).The binding of gossypol with the enzymes was confirmed by molecular docking studies.The best docking poses were found and the low binding energies were recorded with the two target enzymes.Conclusions:Gossypol is a potential antifungal agent and can be further explored as an anti-dermatophytic drug.

关 键 词：Thespesia populnea GOSSYPOL Anti-dermatophytic activity Trichophyton mentagrophytes Mechanism of action Gene expression Molecular docking METALLOPROTEASE MEP4 Isocitrate lyase ICL 

分 类 号：R285[医药卫生—中药学]