Design, synthetic approach,<i>in silico</i>molecular docking and antibacterial activity of quinazolin-2,4-dione hybrids bearing bioactive scaffolds
Aboubakr H. Abdelmonsef, Mohamed Omar, Huda R. M. Rashdan, Mohamed Mobark Taha, Ahmed M. Abo‐Bakr
Abstract
study. Most new compounds exhibited zero violation of Lipinski's rule (Ro5). These candidate molecules have shown promising antibacterial activity. Among these molecules, compound 3c with di-hydroxyl groups on two phenyl rings at position-4 exhibited a promising potent antibacterial inhibitory effect. Further SAR analysis reveals that a greater number of hydroxyl groups in an organic compound might be crucial for antibacterial efficacy. These findings demonstrate the potential activity of compound 3c as an antibacterial agent.
Topics & Concepts
ChemistryAntimicrobialAntibacterial activityCombinatorial chemistryEscherichia coliDNA gyraseBacillus subtilisStereochemistryPyrazoleDocking (animal)BacteriaBiochemistryOrganic chemistryBiologyNursingGeneMedicineGeneticsQuinazolinone synthesis and applicationsSynthesis and biological activityCancer therapeutics and mechanisms