Three-Component Synthesis of 2-Amino-3-cyano-4 H -chromenes, In Silico Analysis of Their Pharmacological Profile, and In Vitro Anticancer and Antifungal Testing.

Chromenes are compounds that may be useful for inhibiting topoisomerase and cytochrome, enzymes involved in the growth of cancer and fungal cells, respectively. The aim of this study was to synthesize a series of some novel 2-amino-3-cyano-4-aryl-6,7-methylendioxy-4-chromenes and 2-amino-3-cyano-5,7-dimethoxy-4-aryl-4-chromenes by a three-component reaction, and test these derivatives for anticancer and antifungal activity. Compounds and were more active than cisplatin () and topotecan () in SK-LU-1 cells, and more active than in PC-3 cells. An evaluation was also made of the series of compounds and as potential antifungal agents against six strains, finding their MIC to be less than or equal to that of fluconazole (). Molecular docking studies are herein reported, for the interaction of and with topoisomerase IB and the active site of CYP51 of spp. Compounds and interacted in a similar way as with key amino acids of the active site of topoisomerase IB and showed better binding energy than at the active site of CYP51. Hence, and are good candidates for further research, having demonstrated their dual inhibition of enzymes that participate in the growth of cancer and fungal cells.