New Urea Derivatives as Potential Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies.
Mahadev PatilAnurag Noonikara-PoyilShrinivas D JoshiShivaputra A PatilSiddappa A PatilAlejandro BugarinPublished in: Antibiotics (Basel, Switzerland) (2019)
A series of new urea derivatives, containing aryl moieties as potential antimicrobial agents, were designed, synthesized, and characterized by 1H NMR, 13C NMR, FT-IR, and LCMS spectral techniques. All newly synthesized compounds were screened in vitro against five bacterial strains (Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Staphylococcus aureus) and two fungal strains (Candida albicans and Cryptococcus neoformans). Variable levels of interaction were observed for these urea derivatives. However, and of major importance, many of these molecules exhibited promising growth inhibition against Acinetobacter baumannii. In particular, to our delight, the adamantyl urea adduct 3l demonstrated outstanding growth inhibition (94.5%) towards Acinetobacter baumannii. In light of this discovery, molecular docking studies were performed in order to elucidate the binding interaction mechanisms of the most active compounds, as reported herein.
Keyphrases
- acinetobacter baumannii
- molecular docking
- multidrug resistant
- escherichia coli
- klebsiella pneumoniae
- pseudomonas aeruginosa
- biofilm formation
- staphylococcus aureus
- candida albicans
- drug resistant
- molecular dynamics simulations
- magnetic resonance
- high resolution
- cystic fibrosis
- human health
- solid state
- methicillin resistant staphylococcus aureus
- small molecule
- risk assessment
- high throughput
- oxide nanoparticles