7 research outputs found

    Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents

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    In the present study, the antifungal activity of some 1-benzylbenzimidazole derivatives against yeast Saccharomyces cerevisiae was investigated. The tested benzimidazoles displayed in vitro antifungal activity and minimum inhibitory concentration (MIC) was determined for all the compounds. Quantitative structure-activity relationship (QSAR) has been used to study the relationships between the antifungal activity and lipophilicity parameter, logP, calculated by using CS Chem-Office Software version 7.0. The results are discussed on the basis of statistical data. The best QSAR model for prediction of antifungal activity of the investigated series of benzimidazoles was developed. High agreement between experimental and predicted inhibitory values was obtained. The results of this study indicate that the lipophilicity parameter has a significant effect on antifungal activity of this class of compounds, which simplify design of new biologically active molecules

    CORRELATIONS BETWEEN THE LIPOPHILI- CITY AND THE INHIBITORY ACTIVITY OF DIFFERENT SUBSTITUTED BENZIMIDAZOLES

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    2-Amino and 2-methylbenzimidazole derivatives were tested in vitro for their inhibitory activity against the bacteria Bacillus cereus. The minimum inhibitory concentration (MIC) was determined for all compounds. The lipophilicity descriptors were calculated by using CS Chem-Office Software, version 7.0. The stepwise regression method was used to derive the most significant model as a calibration model for predicting the antibacterial activity of this class of compounds. A complete regression analysis resorting to linear and quadratic relationships was made. Theoretical models were validated by leaving one out (LOO) technique, as well as by the calculation of statistical parameters for the established models. The best QSAR model for the prediction of an inhibitory activity of the investigated series of benzimidazoles was developed. A high agreement between the experimental and predicted inhibitory values was obtained. The results indicated that the antibacterial activity could be modeled using the lipophilicity descriptor. Key words: benzimidazole; antibacterial activity; quantitative structure-activity relationship; lipophilicity; in vitro studies; Bacillus cereus. The benzimidazole functional group plays important roles in numerous bioactive compounds. The literature indicated that the benzimidazole nucleus is an essential part of many clinically useful chemotherapeutic agents. Currently, benzimidazole derivatives are the subject of sustained interest due to the vast range of their potential activities. Biologically active benzimidazoles have been known for a long time and they can act as bacteriostats or bactericides In this context, the aim of the present work was to investigate the activity of different substituted benzimidazoles against Gram-positive bacteria Bacillus cereus and to study the quantitative effect of lipophilicity on an antibacterial activity. The central objective of the study was to select the most significant QSAR model which links the structure of these compounds with their inhibitory activity

    Quantitative structure-activity relationships to predict antibacterial effect of some benzimidazole derivatives

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    The antibacterial activity of some substituted benzimidazole derivatives against Gram negative bacteria Escherichia coli was investigated. The tested compounds displayed in vitro inhibitory activity and their minimum inhibitory concentrations were determined. Quantitative structure-activity relationship has been used to study the relationships between the antibacterial activity and lipophilicity parameter, logP. Lipophilicity parameters were calculated for each molecule by using CS Chem-Office Software version 7.0. Multiple linear regression was used to correlate the logP values and antibacterial activity of benzimidazole derivatives. The results are discussed on the basis of statistical data. The most acceptable QSAR model for prediction of antibacterial activity of the investigated series of benzimidazoles was developed. High agreement between experimental and predicted inhibitory values was obtained. The results of this study indicate that the lipophilicity parameter has a significant effect on antibacterial activity of this class of compounds, thus simplifying design of new biologically active molecules
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