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1,2,3-Triazole tethered acetophenones: Synthesis, bioevaluation and molecular docking study

Chinese Chemical Letters 2016年第7期27卷 1058-1063页

作者： Mubarak H.Shaikh Dnyaneshwar D.Subhedar Vijay M.Khedkar Prakash C.Jha Firoz A.Kalam Khan Jaiprakash N.Sangshetti Bapurao B.Shingate UGC-SAP and DST-FIST Sponsored Department of Chemistry Dr. Babasaheb Ambedkar Marathwada University School of Health Sciences University of Kwa Zulu Natal Westville Campus School of Chemical Sciences Central University of Gujarat Department of Pharmaceutical Chemistry Y. B. Chavan College of Pharmacy Dr. Rafiq Zakaria Campus

A small focused library of eighteen new 1,2,3-triazole tethered acetophenones has been efficiently prepared via click chemistry approach and evaluated for their antifungal and antioxidant *** antifungal activity was evaluated against five human pathogenic fungal strains：Candida albicans,Fusarium oxysporum,Aspergillus flavus,Aspergillus niger,and Cryptococcus *** the synthesized compounds,9c,9i,and 9p found to be more potent antifungal agents that the reference *** 1,2,3-triazole based derivatives were also evaluated for antioxidant activity,and compound 9h was found to be the most potent antioxidant as compared to the standard ***,molecular docking study of the newly synthesized compounds was performed and results showed good binding mode in the active site of fungal *** enzyme P450 cytochrome ***,the synthesized compounds were also analyzed for adme properties and showed potential as good oral drug candidates.

关键词： 1,2,3-Triazole Antifungal Antioxidant Molecular docking adme prediction

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1,2,3-Triazole incorporated coumarin derivatives as potential antifungal and antioxidant agents

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Chinese Chemical Letters 2016年第2期27卷 295-301页

作者： Mubarak H.Shaikh Dnyaneshwar D.Subhedar Firoz A.Kalam Khan Jaiprakash N.Sangshetti Bapurao B.Shingate Department of Chemistry Dr. Babasaheb Ambedkar Marathwada University Department of Pharmaceutical Chemistry Y. B. Chavan College of Pharmacy Dr. Rafiq Zakaria Campus

A series of novel ethyl-7-（（1-（benzyl）-1H-1,2,3-triazol-4-yl）methoxy）-2-oxo-2H-chromene-3-carboxylates 8a-h as potential antifungal agents were synthesized via click chemistry. The antifungal activity was evaluated against five human pathogenic fungal strains, such as Candida albicans, Fusarium oxysporum, Aspergillus flavus, Aspergillus niger and Cryptococcus neoformans. Compound 8c, 8d, 8e and 8h were found to be equipotent against C. albicans when compared with miconazole and compound 8f was found to be two-fold more active compared with miconazole and equipotent to fluconazole against ***. The coumarin-based triazole derivatives were also evaluated for antioxidant activity and compound 8a was found to be potent antioxidant when compared with standard drug. Furthermore,molecular docking study of the newly synthesized compounds was performed and results showed good binding mode in the active site of fungal C. albicans enzyme P450 cytochrome lanosterol 14 ademethylase. Moreover, the synthesized compounds were also analyzed for adme properties and showed potential to build up as good oral drug candidates.

关键词： adme prediction Antifungal Antioxidant Docking study 1,2,3-Triazole

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