6533b855fe1ef96bd12b0801

RESEARCH PRODUCT

Search compounds with antimicrobial activity by applying molecular topology to selected quinolones.

M.t. Salabert-salvadorS. Mut-rondaG.m. Antón-fosM.j. Duart

subject

Molecular modelStereochemistryClinical BiochemistryPharmaceutical ScienceQuantitative Structure-Activity RelationshipMicrobial Sensitivity TestsQuinolonesBiochemistryDiscriminant function analysisDrug DiscoveryAnimalsMolecular BiologyTopology (chemistry)Antibacterial agentBacteriaChemistryOrganic ChemistryDiscriminant AnalysisAntimicrobialAnti-Bacterial AgentsDiscriminantDrug DesignMolecular MedicineMolecular topologyBiological systemAntibacterial activity

description

Molecular topology was used to obtain substances with antimicrobial activity. Selected quinolones were employed to develop the corresponding connectivity functions and discriminant equation. Limiting functions were selected that allowed the discriminant function to more efficiently distinguish substances with and without antibacterial activity. Antibacterial tests were run to confirm the theoretically established activity.

10.1016/s0960-894x(03)00544-4https://pubmed.ncbi.nlm.nih.gov/12873497