62279-96-3Relevant academic research and scientific papers
Quantitative structure-activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives
Narasimhan, Balasubramanian,Judge, Vikramjeet,Narang, Rakesh,Ohlan, Ruchita,Ohlan, Sucheta
, p. 5836 - 5845 (2007)
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.
Polyenic acids. I. Antifungal and bacteriostatic activities of hexa-2,4 dienoic acid derivatives
Le Baut,Sparfel,Clairc,et al.
, p. 441 - 445 (2007/10/02)
Synthesis of esters and amides of 2,4-(2 E, 4 E) hexadienoic acid are reported. The authors have tried to modulate the polarity of these compounds by introducing sequences with hydroxyl, amino groups, ether, thioether functions and halogen atoms or heterocycles. A gain in bacteriostatic activity, compared with sorbic acid has been stated in some cases, it is accompanied by either a breakdown (compounds 3, 38, 51, and 54) or a maintenance of fungistatic activity (compounds 5, 10 and 17).
