Spectral Investigations, DFT Studies, ADME Analysis, Molecular Docking of New Piperidine Derivatives with Potential Antimicrobial Activity

Objective: To explore the possibility of obtaining effective and harmless antibacterial drugs by conventional synthesis new piperidine analogs. Methods: The target compound was carried out cyclization reaction involving aromatic aldehydes amine further evaluated for their antimicrobiological assay using agar disc diffusion method. Computational investigation such as density functional theory (DFT) B3LYP/6-31G (d,p) method to evaluate electronic characteristics. Absorption, Distribution, Metabolism, Excretion (ADME) properties were Swiss ADME server. Antimicrobial activity investigated molecular docking that molecule prepared MGL Tools 1.5.7. Auto Dock Vina 1.2.0. Findings: Among all synthesized compounds 5a 5h, 5b 5e showed good anti-bacterial against three pathogenic bacterial strains. B. subtilis is inhibited at a concentration 26 mm. 25 Molecular Docking revealed molecules consistently large binding affinity six proteins, which similar reference molecule, streptomycin. Drug-likeness predictions analysis most do not violate any five Lipinski rule while some have only one or two violations, primarily because high weight. Novelty: In order investigate impact derivatives, lot work has been put into evaluation. These results might influence creation advancement anti-microbial medication candidates are more potent. Keywords: Piperidine; Antimicrobial; SAR Study; Docking; DFT