scholarly journals Prediction of the inhibitory activity of benzimidazole derivatives against Bacillus spp.

2011 ◽  
pp. 251-261 ◽  
Author(s):  
Sanja Podunavac-Kuzmanovica ◽  
Dragoljub Cvetkovic ◽  
Slobodan Gadzuric
Keyword(s):  
Antibacterial Activity ◽  
Quantitative Structure Activity Relationship ◽  
Benzimidazole Derivatives ◽  
Calibration Model ◽  
Statistical Parameters ◽  
Gram Positive Bacteria ◽  
Bacillus Spp ◽  
In Vitro Antibacterial Activity ◽  
Leave One Out

In the present paper, the antibacterial activity of some 1-benzylbenzimidazole derivatives was evaluated against Gram-positive bacteria Bacillus spp. by using QSAR (quantitative structure-activity relationship). The tested compounds displayed in vitro antibacterial activity and minimum inhibitory concentration (MIC) was determined for all compounds. The lipophilicity descriptors of the studied compounds were measured by theoretical calculation (ClogP). The correlation between the MIC (log1/cMIC) and lipophilicity descriptors was investigated, and a mathematical model has been developed as a calibration model for predicting the antibacterial activity of this class of compounds. The quality of the model was validated by leave one out (LOO) technique as well as by the calculation of statistical parameters for the established model. The results of the present study may be useful for the designing of new benzimidazole derivatives that would be more potent against Bacillus spp.

scholarly journals Application of QSAR models in analysis of antibacterial activity of some benzimidazole derivatives against Sarcina lutea

2013 ◽  
Vol 67 (1) ◽  
pp. 27-33
Author(s):  
Sanja Podunavac-Kuzmanovic ◽  
Dragoljub Cvetkovic ◽  
Lidija Jevric ◽  
Natasa Uzelac
Keyword(s):  
Antibacterial Activity ◽  
Inhibitory Activity ◽  
Antibacterial Activities ◽  
Quantitative Structure Activity Relationship ◽  
Benzimidazole Derivatives ◽  
Log P ◽  
Statistical Parameters ◽  
Qsar Analysis ◽  
Qsar Models

In the present paper, a quantitative structure activity relationship (QSAR) has been carried out on a series of 2-methyl and 2-aminobenzimidazole derivatives to identify the lipophilicity requirements for their inhibitory activity against bacteria Sarcina lutea. The tested compounds displayed in vitro antibacterial activity and minimum inhibitory concentration (MIC) was determined for all compounds. The partition coefficients of the studied compounds were measured by the shake flask method (log P) and by theoretical calculation (Clog P). The relationships between lipophilicity descriptors and antibacterial activities were investigated and the mathematical models have been developed as a calibration models for predicting the inhibitory activity of this class of compounds. The models were validated by leave-one-out (LOO) technique as well as by the calculation of statistical parameters for the established models. Therefore, QSAR analysis reveals that lipophilicity descriptor govern the inhibitory activity of benzimidazoles studied against Sarcina lutea.

scholarly journals In Vitro Activity of S-3578, a New Broad-Spectrum Cephalosporin Active against Methicillin-Resistant Staphylococci

2003 ◽  
Vol 47 (3) ◽  
pp. 923-931 ◽  
Author(s):  
Takaji Fujimura ◽  
Yoshinori Yamano ◽  
Isamu Yoshida ◽  
Jingoro Shimada ◽  
Shogo Kuwahara
Keyword(s):  
Antibacterial Activity ◽  
Population Analysis ◽  
Low Frequency ◽  
Methicillin Resistant ◽  
Gram Positive Bacteria ◽  
Highly Active ◽  
In Vitro Antibacterial Activity ◽  
Mrsa Strains ◽  
Time Kill

ABSTRACT The in vitro antibacterial activity of S-3578, a new parenteral cephalosporin, against clinical isolates was evaluated. The MICs of the drug at which 90% of the isolates were inhibited were 4 μg/ml for methicillin-resistant Staphylococcus aureus (MRSA) and 2 μg/ml for methicillin-resistant Staphylococcus epidermidis, which were fourfold higher than and equal to those of vancomycin, respectively. The anti-MRSA activity of S-3578 was considered to be due to its high affinity for penicillin-binding protein 2a (50% inhibitory concentration, 4.5 μg/ml). In time-kill studies with 10 strains each of MRSA and methicillin-susceptible S. aureus, S-3578 caused more than a 4-log10 decrease of viable cells on the average at twice the MIC after 24 h of exposure, indicating that it had potent bactericidal activity. Furthermore, in population analysis of MRSA strains with heterogeneous or homogeneous resistance to imipenem, no colonies emerged from about 109 cells on agar plates containing twice the MIC of S-3578, suggesting the low frequency of emergence of S-3578-resistant strains from MRSA. S-3578 was also highly active against penicillin-resistant Streptococcus pneumoniae (PRSP), with a MIC90 of 1 μg/ml, which was comparable to that of ceftriaxone. S-3578 also had antibacterial activity against a variety of gram-negative bacteria including Pseudomonas aeruginosa, though its activity was not superior to that of cefepime. In conclusion, S-3578 exhibited a broad antibacterial spectrum and, particularly, had excellent activity against gram-positive bacteria including methicillin-resistant staphylococci and PRSP. Thus, S-3578 was considered to be worthy of further evaluation.

scholarly journals QSAR modeling of antibacterial activity of some benzimidazole derivatives

2011 ◽  
Vol 17 (1) ◽  
pp. 33-38 ◽  
Author(s):  
Sanja Podunavac-Kuzmanovic ◽  
Dragoljub Cvetkovic
Keyword(s):  
Antibacterial Activity ◽  
Qsar Model ◽  
Quantitative Structure Activity Relationship ◽  
Structural Features ◽  
Benzimidazole Derivatives ◽  
Qsar Modeling ◽  
Qsar Study ◽  
Validation Procedure ◽  
Leave One Out

A quantitative structure-activity relationship (QSAR) study has been carried out for training set of 12 benzimidazole derivatives to correlate and predict the antibacterial activity of studied compounds against Gram-negative bacteria Pseudomonas aeruginosa. Multiple linear regression was used to select the descriptors and to generate the best prediction model that relates the structural features to inhibitory activity. The predictivity of the model was estimated by cross-validation with the leave-one-out method. Our results suggest a QSAR model based on the following descriptors: parameter of lipophilicity (logP) and hydration energy (HE). Good agreement between experimental and predicted inhibitory values, obtained in the validation procedure, indicated the good quality of the generated QSAR model.

scholarly journals Correlations between the lipophilicity and the inhibitory activity of different substituted benzimidazoles

2009 ◽  
Vol 15 (3) ◽  
pp. 125-130 ◽  
Author(s):  
Sanja Podunavac-Kuzmanovic ◽  
Dragoljub Cvetkovic ◽  
Dijana Barna
Keyword(s):  
Antibacterial Activity ◽  
Inhibitory Activity ◽  
Theoretical Models ◽  
Qsar Model ◽  
Calibration Model ◽  
Complete Regression ◽  
Statistical Parameters ◽  
High Agreement ◽  
Office Software

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.

scholarly journals Lipophilicity and antifungal activity of some 2-substituted benzimidazole derivatives

2011 ◽  
Vol 17 (1) ◽  
pp. 9-15 ◽  
Author(s):  
Sanja Podunavac-Kuzmanovic ◽  
Dragoljub Cvetkovic
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Antifungal Activity ◽  
Benzimidazole Derivatives ◽  
Statistical Parameters ◽  
Yeast Saccharomyces Cerevisiae ◽  
Calibration Models ◽  
Leave One Out ◽  
In Vitro Antifungal Activity

In the present paper, the antifungal activity of some 2-methyl and 2- aminobenzimidazole derivatives was evaluated against yeast Saccharomyces cerevisiae. The tested compounds displayed in vitro antifungal activity and minimum inhibitory concentration (MIC) was determined for all compounds. The partition coefficients of the studied compounds were measured by the shake flask method (logP) and by theoretical calculation (ClogP). The logP values were compared and the relationships between the logP values and antifungal activities were investigated. The mathematical models have been developed as a calibration models for predicting the antifungal activity of this class of compounds. The quality of models was validated by leave one out (LOO) technique as well as by the calculation of statistical parameters for the established models. The results of the present study may be useful for the designing of new more potent benzimidazole derivatives against yeast Saccharomyces cerevisiae.

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

2008 ◽  
pp. 181-191 ◽  
Author(s):  
Sanja Podunavac-Kuzmanovic ◽  
Dijana Barna ◽  
Dragoljub Cvetkovic
Keyword(s):  
Antibacterial Activity ◽  
Qsar Model ◽  
Quantitative Structure Activity Relationship ◽  
Biologically Active ◽  
Benzimidazole Derivatives ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Lipophilicity Parameter ◽  
Office Software

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.

scholarly journals In Vitro Antibacterial Activity of CE-156811, a Novel Analog Derived from Hygromycin A

2008 ◽  
Vol 52 (7) ◽  
pp. 2663-2666 ◽  
Author(s):  
Gregory G. Stone ◽  
Dennis Girard ◽  
Steve Finegan ◽  
Joan Duignan ◽  
John Schafer ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Multidrug Resistant ◽  
Vitro Activity ◽  
In Vitro Activity ◽  
Gram Positive ◽  
Gram Positive Bacteria ◽  
In Vitro Antibacterial Activity

ABSTRACT We evaluated a novel truncated hygromycin A analog in which the furanose ring was replaced with a 2-fluoro-2-cyclopropylethyl substituent for its activity against multidrug resistant gram-positive bacteria and compared its activity to the activities of linezolid, quinupristin-dalfopristin, and vancomycin. CE-156811 demonstrated robust in vitro activity against gram-positive bacteria that was comparable to that of linezolid.

scholarly journals Evaluation of antibacterial activity of essential oil from Algerian Pistacia lentiscus resin

2017 ◽  
Vol 1 ◽  
pp. 13
Author(s):  
G. Bachir Raho
Keyword(s):  
Antibacterial Activity ◽  
Essential Oils ◽  
Diffusion Method ◽  
Pistacia Lentiscus ◽  
E Coli ◽  
Gram Positive Bacteria ◽  
Agar Disc ◽  
In Vitro Antibacterial Activity ◽  
Microbial Growth Inhibition

The purpose of this research was to evaluate the in vitro antibacterial activity of the essential oils from the resin of Pistacia lentiscus against Staphylococcus aureus (Gram–positive bacteria) and Escherichia coli (Gram–negative bacteria). The agar disc diffusion method was used for microbial growth inhibition at various dilutions of the oils. Results showed that the tested essential oils possess antibacterial activity against S. aureus but inactive on E. coli. These results may have significant implications for the future development of resin oils of P. lentiscus as an antimicrobial agent for the treatment of the infections caused by S. aureus. 

scholarly journals Synthesis and antibacterial studies of some novel isoxazoline derivatives

2007 ◽  
Vol 72 (5) ◽  
pp. 443-449 ◽  
Author(s):  
Tejaskumar Shah ◽  
Vikas Desai
Keyword(s):  
Antibacterial Activity ◽  
Spectral Data ◽  
Elemental Analysis ◽  
Gram Negative Bacteria ◽  
Gram Positive ◽  
Gram Negative ◽  
Gram Positive Bacteria ◽  
Antibacterial Studies ◽  
In Vitro Antibacterial Activity

A series of 3-[3-(2,4-dichloro-5-fluorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol- 1-yl]-5-(substituted phenyl/2-thienyl)isoxazolines (4a-j) were prepared. The structures of the isoxazoline derivatives were confirmed on the bases of elemental analysis and spectral data. The compounds were screened for their in vitro antibacterial activity using gram-positive bacteria and gram-negative bacteria.

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