کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1365520 981564 2007 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantitative structure–activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Quantitative structure–activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives
چکیده انگلیسی

A new series of 2,4-hexadienoic acid derivatives (S1–S42) has been synthesized and evaluated as antimicrobial agents against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Candida albicans, and Aspergillus niger. Quantitative structure–activity relationship (QSAR) investigation using Hansch analysis was applied to find out correlation between antimicrobial activities with physicochemical properties of the synthesized compounds. Various physicochemical descriptors and experimentally determined minimum inhibitory concentration values for different microorganisms were used as independent and dependent variables, respectively. The QSAR revealed that topological parameters especially molecular connectivity indices (χ2, 0χv, 2χv) were found to have overall significant correlation with antimicrobial activity of 2,4-hexadienoic acid derivatives. The statistical results of training set, cross-validated r2 and conventional r values gave reliability to the prediction of molecules with activity using QSAR models.

QSAR study of synthesized 2,4-hexadienoic acid derivatives as antimicrobial agents indicated the importance of the topological parameters especially the molecular connectivity indices (0χv, 2χv, 2χ) in contribution to antimicrobial activity.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 17, Issue 21, 1 November 2007, Pages 5836–5845
نویسندگان
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