LAUSR

Abstract In the present study, by using green solvent and ecofriendly catalyst, a series of dihydropyridine and their analogs were synthesized. The total synthetic path proceeded under ecofriendly environment and a reusable heterogeneous catalyst was utilized, consequently, products formed with good yield. The prepared compounds examined using proton NMR, carbon NMR and mass spectroscopies studies. In addition, all final moieties were screened for their microbial resistance properties against four bacterial pathogens and two fungi. Most of the products demonstrated higher to moderate antimicrobial actions. Compounds 5e and 5n were noted the prominent microbial remedial behavior. Further, compounds electronic parameters such as HOMO energy, LUMO energy, their energy gap and other were calculated to investigate any structure activity relationships (SARs). There was some correlation existed between the simulations results and biological results. From SARs, the high LUMO energy value contained compound showed high antimicrobial property vice versa. Thus, the synthetic method in this research may judge as a model for further environmentally benign reactions and existed biological consequences stands for additional studies interrelated to biotic drugs. On the other hand, simulation results also an important descriptor to support the biological experiments.