Sun, Bin; Dong, Yue; Lei, Kang; Wang, Jian; Zhao, Liyu; Liu, Min published the artcile< Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target (SE, CYP51) antifungal inhibitors>, COA of Formula: C6H8N2, the main research area is amide pyridine derivative preparation squalene cyclooxygenase CYP51 inhibitor antifungal; 3D QSAR model; Amide-pyridine compounds; Antifungal activity; Dual-target; Molecular docking.
Based on the anal. of the squalene cyclooxygenase (SE) and 14α-demethylase (CYP51) inhibitors pharmacophore feature and the dual-target active sites, a series of compounds with amide-pyridine scaffolds have been designed and synthesized to treat the increasing incidence of drug-resistant fungal infections. In vitro evaluation showed that these compounds have a certain degree of antifungal activity. The most potent compounds 11a, 11b with MIC values in the range of 0.125-2 μg/mL had a broad-spectrum antifungal activity and exhibited excellent inhibitory activity against drug-resistant pathogenic fungi. Preliminary mechanism studies revealed that the compound 11b might play an antifungal role by inhibiting the activity of SE and CYP51. Notably compounds did not show the genotoxicity through plasmid binding assay. Finally, this study of mol. docking, ADME/T prediction and the construction of 3D QSAR model were performed. These results can point out the direction for further optimization of the lead compound
Bioorganic & Medicinal Chemistry published new progress about Drug resistance. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, COA of Formula: C6H8N2.