Synthesis, Biological Evaluation and Docking Studies of 4H-1,2,3 thiadiazolo4,5-bindole Hybrids as Antifungal Agents

摘要

Herein, we report the synthesis of 4H-1,2,3thiadiazolo4,5-bindole derivatives along with their pharmacological activity against different Gram-(+ve), Gram-(-ve) and fungal strains. Structures of all the compounds were elucidated by NMR, HRMS, LC-MS and IR analysis methods. The biological studies revealed that 4H-1,2,3thiadiazolo4,5-bindole and 5-nitro-4H-1,2,3thiadiazolo4,5-bindole compounds possess good antifungal activity with IC50 values of 10.+/- 2.2, 16.0 +/- 0.9 and MIC values of 25 and 36, respectively. At the same time, compound 4H-1,2,3thiadiazolo4,5-bindole possesses weak antibacterial activity with an IC50 value of 34.1 +/- 1.0 and MIC >100. Molecular docking performed on the compound 4H-1,2,3thiadiazolo4,5-bindole showed a high affinity with binding energy -6.0 and 5.7 kcal mol-1 and formed key interactions with the active site of transferase enzyme (6AEF) and integrin protein (3FCU).