Synthesis, Biological Evaluation and Docking Studies of 4H‐[1,2,3] thiadiazolo[4,5‐b]indole Hybrids as Antifungal Agents

Abstract

AbstractHerein, we report the synthesis of 4H‐[1,2,3]thiadiazolo[4,5‐b]indole 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‐[1,2,3]thiadiazolo[4,5‐b]indole and 5‐nitro‐4H‐[1,2,3]thiadiazolo[4,5‐b]indole compounds possess good antifungal activity with IC50 values of 10.8±2.2, 16.0±0.9 and MIC values of 25 and 36, respectively. At the same time, compound 4H‐[1,2,3]thiadiazolo[4,5‐b]indole possesses weak antibacterial activity with an IC50 value of 34.1±1.0 and MIC >100. Molecular docking performed on the compound 4H‐[1,2,3]thiadiazolo[4,5‐b]indole 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).