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The novel and fused thiabenzene-1-methyl-1-oxide analogs ( 5a - e ) were synthesized by the reaction of Dimethylsulfoxoniummethylide (DIMSOY) and 4-alkoxy- 2H -chromene-carboxaldehydes with cyclic Michel acceptors and having a leaving group at β-position. The compounds thus prepared were characterized by mass analysis,  1 H and  13 C NMR techniques and screened for their antibacterial activity by  in vitro  and  in silico  studies. The antibacterial activity of all the purified analogs ( 5a - e ) were determined for Methicillin-resistant  Staphylococcus aureus  (MRSA) by disk diffusion technique. Molecular docking studies for these compounds ( 5a - e ) were performed against Tyrosyl-tRNA synthetase inhibitor using AutoDock. Also discussed the Density functional theory (DFT) computational studies for these compounds ( 5a - e ). Infectious diseases caused by MDRB (multidrug resistant bacteria) are an important problem to be addressed globally. They have been among the leading causes of death, disability, growing challenges to health security and human progress, especially in developing countries for centuries. The inspiring preliminary results of these fused thisbenzene-1-methyl-1-oxide analogs ( 5a - e ), upon further modification will produce a best drug candidate having anti-MRSA activity.

polycyclic aromatic compounds

Synthesis, Characterization of Novel Fused Thiabenzene-1-Methyl-1-Oxide Analogs: DFT Computational,  in Silico  Molecular Docking Studies and Its Antibacterial Activity