In-Silico Design & Synthesis of MurB Inhibitors as Antibacterial AgentPaperback, 30 April 2012

Heterobicyclic oxazolo pyrimidinone are important class of compounds. They may become promising candidates for exploiting more useful therapeutically active molecules. The compounds having oxazolo pyrimidinone moiety are associated with interesting wide spectrum biological activities, such as antibacterial, kinase inhibition, adenosine receptor antagonism, tumour growth inhibition and some show to inhibit the ability of ricin to inactivate the ribosomes etc. The intermediate azlactones are also useful precursors for the synthesis of amino acids, peptides, heterocycles, biosensors and antitumor or antimicrobial compounds. In the present study, it was proposed to synthesize lead molecules of oxazolo pyrimidinone skeleton, apt for binding to the target enzyme, bacterial MurB based on the rational approach and to study their docking simulations using ArgusLab 4.0.1 and AutoDock 4.2 softwares. The synthesized test compounds were then characterized by TLC, melting point determination, UV, IR, 1H-NMR and mass spectral studies and tested for their antibacterial activity and compare with the standard drug.