Drug Research · 2013 · 10 citations · 0 references
PharmacyChemistryMedicinal ChemistryDrug DiscoveryOrganic ChemistryStructure-activity RelationshipsChemical Space AnalysisLead Compound DesignLigand-based DesignMolecular SimilarityQuantitative Structure-activity RelationshipsStructure-activity Relationship AnalysisAntibacterial Drug DevelopmentAntimicrobial Drug DevelopmentBenzoic Acid DerivativesChemical Series OptimizationChemical Structure-activity RelationshipsNovel Antibacterial AgentsNovel Antibacterial Drug DiscoveryStructure - Activity Relationship Optimization
In the present study, a series of p-hydroxy benzoic acid derivatives (1-29) was synthesized and tested for its antimicrobial potential. Results of antimicrobial studies indicated that in general, Schiff bases were found to be more active as compared to esters and compound 14 was found to be most potent antimicrobial agent (pMICam=1.50 µM/ml). QSAR study was performed in order to understand the relationship between antimicrobial activity and changes in the molecular structures which indicated that antimicrobial activity of the synthesized compounds was governed by valence first order molecular connectivity index (1χv), Kier's alpha first order shape index (κα1), Kier's first order shape index (κ1) and Balaban topological index (J).