Abstract
In the current research, a new therapeutically active ethyl-4-(2,4-methoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxylate (DMPC) prepared by the Biginelli reaction was found to possess effective antioxidant and thrombolytic activities. The geometry of the DMPC was confirmed by the single crystal X-ray diffraction analysis and DFT studies carried out by B3LYP6-311++G (d,p) method and the results have been compared with the actual values. The Mulliken charge distribution, molecular electrostatic potential (MEP) surface, HOMO and LUMO of the DMPC were calculated by victimization a similar level theory. NLO of the DMPC was studied from the optimized geometry. The drug receptor interactions of the molecule were studied by molecular docking using auto dock 4.2.
Disclosure statement
No potential conflict of interest was reported by the author(s).