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A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies.

ABSTRACT: In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-Candida activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of Candida spp. The anti-Candida activity assay revealed that some of the new compounds are as active as fluconazole against most of the tested strains. A molecular docking study was conducted in order to evaluate the binding poses towards lanosterol 14?-demethylase. An in silico ADMET analysis showed that the compounds possess drug-like properties and represent a biologically active framework that should be further optimized as potential hits.

SUBMITTER: Borcea AM 

PROVIDER: S-EPMC6337626 | biostudies-other | 2019 Jan

REPOSITORIES: biostudies-other

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A Novel Series of Acylhydrazones as Potential Anti-<i>Candida</i> Agents: Design, Synthesis, Biological Evaluation and In Silico Studies.

Borcea Anca-Maria AM   Marc Gabriel G   Ionuț Ioana I   Vodnar Dan C DC   Vlase Laurian L   Gligor Felicia F   Pricopie Andreea A   Pîrnău Adrian A   Tiperciuc Brîndușa B   Oniga Ovidiu O  

Molecules (Basel, Switzerland) 20190106 1

In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-<i>Candida</i> activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of <i>Candid  ...[more]

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