preliminary mlr studies of antimicrobial activity of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives
نویسندگان
چکیده
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)
منابع مشابه
QSAR Study of Antimicrobial 3-Hydroxypyridine-4-one and 3-Hydroxypyran-4-one Derivatives Using Different Chemometric Tools
A series of 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives were subjected to quantitative structure-antimicrobial activity relationships (QSAR) analysis. A collection of chemometrics methods, including factor analysis-based multiple linear regression (FA-MLR), principal component regression (PCR) and partial least squares combined with genetic algorithm for variable selection (GA-...
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عنوان ژورنال:
research in pharmaceutical sciencesجلد ۲، شماره ۲، صفحات ۱۰۳-۰
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