Preliminary MLR studies of antimicrobial activity of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives

摘要

Quantitative structure-activity relationship (QSAR) studies of a series of substituted 3-hydroxy-pyridine-4-ones and 3-hydroxy-pyran-4-ones as antibacterial and antifungal agents against a variety of microorganisms were performed. Multiple linear regression approach was used as variable selection method. The antimicrobial activities of these compounds against Staphylococcus aureus, Aspergilus niger and Candida albicans were subjected to QSAR analysis. The best QSAR models were achieved for the antimicrobial activity of the studied compounds against Staphylococcus aureus and Candida albicans Quantum, constitutional and geometrical parameters had important roles in the antimicrobial activity against Staphylococcus aureus. Geometrical, functional group and topological parameters of the compounds had important effect on the antimicrobial activity against Candida albicans. The equation describing this effect had a good statistical quality (R2=0.81, SE=0.14, Q2=0.73)