ABSTRACT
The current study deals with the synthesis of urea and thiourea derivatives 1-37 which were characterized by various spectroscopic techniques including FAB-MS, 1H-, and 13C NMR. The synthetic compounds were subjected to urease inhibitory activity and compounds exhibited good to moderate urease inhibitory activity having IC50 values in range of 10.11-69.80⯵M. Compound 1 (IC50â¯=â¯10.11⯱â¯0.11⯵M) was found to be most active and even better as compared to the standard acetohydroxamic acid (IC50â¯=â¯27.0⯱â¯0.5⯵M). A limited structure-activity relationship (SAR) was established and the compounds were also subjected to docking studies to confirm the binding interactions of ligands (compounds) with the active site of enzyme.
Subject(s)
Enzyme Inhibitors/chemical synthesis , Thiourea/chemistry , Urease/antagonists & inhibitors , Binding Sites , Catalytic Domain , Drug Design , Enzyme Inhibitors/metabolism , Hydrogen Bonding , Inhibitory Concentration 50 , Molecular Docking Simulation , Structure-Activity Relationship , Thiourea/metabolism , Urea/analogs & derivatives , Urea/metabolism , Urease/metabolismABSTRACT
The aim of the research work was to synthesize different biologically active carbamate derivatives bearing 2-furoyl-1-piperazine and having modest toxicity. The synthesis was completed as a multiple sequence. The structural confirmation of all the synthesized compounds was obtained by EI-MS, IR and 1H-NMR spectral data. The enzyme inhibition and antibacterial potential of the synthesized compounds was evaluated. To find the utility of the prepared compounds as possible therapeutic agents their cytotoxicity was also checked. All the compounds were active against acetylcholinesterase enzyme, especially 12 and 14 showed very good inhibitory potential relative to Eserine, a reference standard. Almost all the compounds showed good activities against both Gram-positive and Gram-negative bacterial strains.