Novel Sulfonylurea Derivatives as A Potential Agent: In-Silico Study, Chemical Synthesis, Characterization and Their Evaluation

We reported with the aim of molecular docking is to give a prediction of the ligand-receptor complex structure using computation methods. Docking can be achieved through two interrelated steps: first by sampling conformations of the ligand in the active site of the protein (PDB Id: 4YVP); then ranking these conformations via a scoring function. All the compounds were subjected to molecular docking studies using AUTODOCK software. The in silico molecular docking study results showed that, all the synthesized compounds having minimum binding energy and have good affinity toward the active pocket, thus, they may be considered as good inhibitors. In order to explore the antimicrobial activity associated with the sulphonylurea frame work, several novel scaffolds of sulphonylurea derivatives have been synthesized and characterized on the basis of spectra data. The synthesized compounds were subjected to biological evaluation by most relevant bacteria like Escherichia Coli, Bacillus subtilis for in-vitro studies out of which compound PG2 and PG5 showed good activity against E. coli and compound PG2 and PG4 showed good activity against B. subtilis as compared to standard one.