Electrochemically induced multicomponent assembling of isatins, kojic acid, and malonic acid derivatives in n-propanol in the presence of sodium iodide as an electrolyte in an undivided cell results in the formation of unsymmetrical spiro(indole-3,4 0 -pyrano[3,2-b]pyranes) in 86-98% yields. The optimized reaction conditions and a mechanistic rationale for this catalytic electrochemical transformation are presented. This new electrocatalytic multicomponent process is a facile and efficient environmentally benign way to the functionalized unsymmetrical spiro(indole-3,4 0 -pyrano[3,2-b]pyranes), containing inserted kojic acid fragment, which are perspective compounds for different biomedical applications, among them anticonvulsant, anti-cancer, anti-AIDS agents, and anti-inflammatory remedies. All synthesized compounds were investigated using a molecular docking procedure. The results of prediction were incorporated in one pool of potential targets. The automated method was proposed and performed for the docking procedure. It is distinct from screening by higher accuracy, and it is much more scalable than the classic docking procedure. It was found that the synthesized compounds are potential ligands for 4OHK (glucokinase regulatory protein) and 3V2B (human poly [adp-ribose] polymerase 15) proteins.

Michael addition–halogenation–intramolecular ring-closing (MHIRC) reactions are processes in which a halogen atom as a leaving group can attach to substrates or reactants during the reaction, which then undergoes intramolecular ring closure. In this communication the MHIRC transformation of 4-benzylidene-3-phenylisoxazol-5(4H)-one and 1,3-dimethylbarbituric acid in the presence of N-bromosuccinimide and sodium acetate in EtOH at room temperature was carefully investigated to give novel 1,3-dimethyl-3′,5-diphenyl-1,5-dihydro-2H,5′H-spiro[furo[2,3-d]pyrimi- dine-6,4′-isoxazole]-2,4,5′(3H)-trione in a good yield. The structure of the new compound was confirmed by the results of elemental analysis as well as mass, nuclear magnetic resonance, and infrared spectroscopy.

Green electrocatalytic multicomponent assembly of salicylaldehydes, kojic acid and malonic acid derivatives in n‐propanol in the presence of potassium iodide as an electrolyte in an undivided cell results in the formation of 4‐(3‐hydroxy‐6‐(hydroxymethyl)‐4‐oxo‐4H‐pyran‐2‐yl) substituted 2‐amino‐4H‐chromenes in 86–98 % yields. This new electrocatalytic multicomponent process is a facile and efficient environmentally benign way to the functionalized 2‐amino‐4H‐chromenes, containing in the fourth position kojic acid fragment, which are perspective compounds for different biomedical applications, among them in the treatment of human inflammatory diseases. Python‐automated docking procedure was carried out and the results support anti‐inflammatory potential of the synthesized compounds.