New 1,2,3-triazole-linked tetrahydrobenzo[b]pyran derivatives: Facile synthesis, biological evaluation and molecular docking study

An efficient ultrasound-promoted one-pot three-component synthesis of a series of new 1,2,3-triazole-linked tetrahydrobenzo[ b ]pyran derivatives as antifungal and antioxidant agents using NaHCO 3 has been described for the first time. The bioassay result indicates that the compounds 7b , 7c , 7i and 7j displayed excellent antifungal activity with lower MIC = 12.5 µg/mL than the reference drug miconazole. Most of the compounds from the series showed promising antioxidant activity with lower IC 50 values in the range 12.47 ± 0.60–16.49 ± 0.44 µg/mL in comparison with butylated hydroxy toluene (BHT). Molecular docking studies revealed that most of the newly synthesized compounds showed excellent binding affinity with the potential target sterol 14α-demethylase (CYP51). Moreover, in silico adsorption, distribution, metabolism and excretion (ADME) study shows that the derivatives may possess drug like properties for further development of newer therapeutic agents. Graphic abstract