Efficient synthesis, spectral analysis, antimicrobial studies and molecular docking studies of some novel 2-aminopyrimidine derivatives

Abstract

Background/Objectives: An important aspect of medicinal chemistry has been to establish a relationship between chemical structure and pharmacological activity. Nitrogen containing heterocycles widely used as key building blocks for pharmaceutical agents. Method/Statistical analysis: 2,4,6-trisubstituted aminopyrimidine derivatives (9-16) have been synthesized by the cyclization of 3-phenyl-1-(pyridin-2-yl)prop-2-en-1-one (1-8) with guanidine nitrate in ethanolic NaOH solution and were characterized by elemental analysis, IR, 1H NMR and 13C NMR spectral analysis. All the synthesized compounds were screened for antibacterial and antifungal activities using serial dilution method. Findings: The microbiological analysis showed that the electron withdrawing function substituted phenyl group at C-4 exposed significant antimicrobial activity against S .aureus, V. cholerae, S. typhi, K. pneumoniae, A. flavus, C. albicans, Mucor and Candida 6 at MIC of 6.25 μg/ml. In silico docking studies indicate that minor pseudopilin EpsH from Vibrio cholera (PDB 2QV8) and M. tuberculosis DHFR (PDB IDF7) is the possible target of these compounds.