An, Yunfei; Dong, Yue; Liu, Min; Han, Jun; Zhao, Liyu; Sun, Bin published the artcile< Novel naphthylamide derivatives as dual-target antifungal inhibitors: Design, synthesis and biological evaluation>, Application In Synthesis of 3731-53-1, the main research area is naphthylamide imidazole preparation antifungal activity mol docking SAR; squalene epoxidase cytochrome P450 enzyme inhibitor; Antifungal activity; Dual-target; Fungal infections; Inhibitors; Organic synthesis.
In the study, a series of active fragments were screened through the method of De Novo Link, and these active fragments with the higher Ludi_Scores were selected, which can show the obvious binding ability with the dual targets (SE, CYP51). Subsequently, three series of target compounds with naphthyl amide scaffolds were constructed by connecting these core fragments, and their structures were synthesized. Most of compounds showed the antifungal activity in the treatment of pathogenic fungi. It was worth noting that compoundsI [R = pyridin-4-ylmethyl] and II [R = methyl] with the excellent broad-spectrum antifungal properties also exhibited the obvious antifungal effects against drug-resistant fungi. Preliminary mechanism study has proved these target compounds can block the biosynthesis of ergosterol by inhibiting the activity of dual targets (SE, CYP51). Furthermore, target compounds I [R = pyridin-4-ylmethyl] and II [R = methyl] with low toxicity side effects also demonstrated the excellent pharmacol. effects in vivo. The mol. docking and ADMET prediction were performed, which can guide the optimization of subsequent lead compounds
European Journal of Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application In Synthesis of 3731-53-1.