Backround: Twenty four 4-(4-substituted phenyl)-6-(furan-2-yl)-3,4-dihydro pyrimidin-
2(1H)-one,4-(4-substituted phenyl)-6-(furan-2-yl)-3,4-dihydro pyrimidin-2(1H)-thione and 4-substituted
phenyl-3,4,5,6,7,8-hexa hydro quinazolin-2(1H)-one, 4-substituted phenyl-3,4,5,6,7,8-hexa hydro
quinazoline-2(1H)-thione derivatives were constitute attractive targets for the development of active
antimicrobial as well as antimycobacterial agent.
Method: Graph Theoretical Analysis was introduced into identified drug target and based on analysis
report of human protein NFkβ1 chosen as a core drug target. The biologically active compounds were
identified by insilico modeling and characterized by spectral and elemental analysis.
Results: Among the compounds tested, both electron withdrawing and releasing compounds exhibited
significant antibacterial and antifungal activities while unsubstituted compounds also showed notable
antifungal activity with reference to standard drug Clotrimazole.
Conclusion: The biologically significant compounds carried a p-fluoro atom in the phenyl ring and the
observed results concluded the effectiveness of the lead compounds.