In Silico Prediction, Characterization and Molecular Docking Studies on New Benzamide Derivatives

Recent research papers have confirmed the prevalence of microorganisms resistant to numerous antimicrobial agents, leading spreading infections, extended hospitalizations, and increased mortality rates. The amplifying factors stimulate need discover new molecules able cut off developing resistance pathogens against medicines. current study presents a molecular docking procedure applied on 15 pyridine–thiourea derivatives in order test their activities S. aureus E. coli. protein crystal structures were obtained from Protein Data Bank (PDB). Processes such as geometry optimization, properties (log P, polarizability, E HOMO, LUMO, area volume molecules, ovality), drug-likeness, pharmacokinetic pharmacogenomic profiles, studies are discussed present research. approach involved determination for each chemical structure by using Spartan 14 software, followed evaluation binding affinity through specific score with aid CLC Drug Discovery Workbench. Each studied compound established hydrogen bonds selected receptors, suitable scores increasing chances being considered further investigation.