Design, Synthesis and Docking Studies of Derivatives of 1,4 Dihydropyridine as Anti-Bacterial Agents

The present study establishes that computational tools help in minimizing the tedious process of drug discovery and delivers new drug candidate more quickly. Virtual screening was utilized for filtering the compounds and selecting the lead compounds. The drug likeness score established the compounds to be pharmacokinetically active. The binding energy obtained from docking study further confirmed the possibility of the affinity of the selected leads towards the enzyme,DNA gyrasefrom Streptococcus pnemoniae, Staphylococcus aureusand Escherichia coli. Using the schemes various 1,4dihydropyridines were synthesized with good yield. Structure of the synthesized compoundis confirmed by Melting point, TLC, NMR and MASS spectra. The compounds were screened for antibacterial activity