Design, synthesis, antifungal activity, and molecular docking studies of benzothiazole, S-benzyl-2,4-isodithiobiuret, and thiourea derivatives of 1-hepta-O-benzoyl-β-d-maltose nanoparticles.

The surge in fungal infection-related mortality worldwide is being caused by drug resistance to well-established antifungals such azole derivatives (bifonazole, fluconazole, miconazole, and clotrimazole). Finding novel molecules that are structurally different to these could be a useful tactic to get over medication resistance that is currently on the market. In an effort to develop highly potent non-resistance antifungal agents, we reported a series of compounds with benzothiazole, S-benzyl-2,4-isodithiobiuret and thiourea derivatives of 1-hepta-O-benzoyl-β-d-maltose NPs and their antifungal activity against the most infectious fungal strain Candida albicans. Numerous analogues among the synthesized compounds have shown potent antifungal activity. All the synthesized compounds were tested in vitro for determining their anticandidal activity. Almost all the compounds were found to be highly potent than established antifungal drugs (MIC ¼ 0.25-0.125 mg mL-1) against Candida albicans strain. An in silico molecular docking study was also performed to comprehend the mode of action of the active compounds towards prospective target 1EA1 binding protein.