Experimental and QSAR Studies on Antimicrobial Activity of Benzimidazole Derivatives

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概要

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• Twenty eight analogues of benzimidazoles had been synthesized and tested for their antimicrobial activity against four bacteria (Staphylococcus auerus, Escherichia coli, Bacillus pumilus and Proteus vulgaris) and two fungi (Aspergillus flavus and Aspergilus niger). Compounds with R as C_6H_4NO_2 and R' as SO_2C_6H_4-CH_3(p), with R as C_6H_4OCH_3 and R' as SO_2C_6H_4-CH_3(p), and with R as CH_2C_6H_5 and R' as CH_2(CH_2)_9Cl exhibited comparable or higher antibacterial activity than Ciprofloxacin against S. auerus and E. coli and, higher activity than Nystatin against A. flavus. Several other compounds showed better activity than the standard antibiotic for E. coli. Compounds with R as CCl_3 and R' as SO_2C_6H_4-CH_3(p) or COC_6H_5 exhibited the lowest activity against all the organisms. Addition of methylene groups in the R' position increased activity. Many of the compounds showed better activity than Ciprofloxacin for one or more organisms. Compound with R as CH_2OC_6H_5 and R' as CH_2(CH_2)_9Cl exhibited higher activity against both the fungii than the control Nystatin. Quantitative structure activity relationships (QSARs) developed were good for all the organisms (R^2=0.65 to 0.88; R^2_<adj>=0.63 to 0.86) and the predictive capability of the developed models was also reasonable (q^2=0.52 to 0.83). The models had two to three independent variables. The data for the models which had three independent variables were divided into training and test/validation sets. The former set was used to develop the QSAR and these developed models were used to predict the activity of the test set data. In all the three cases the predictive capability of the models was good. The molecular descriptors identified were predominantly log P, electronic parameters, molecular size, shape and area. A positive correlation existed between the antibacterial activity and the first principal component.

• 2008-03-01

著者

• Doble Mukesh

  Department Of Biotechnology Indian Institute Of Technology Madras

• PURATCHIKODY Ayarivan

  Department of Pharmaceutical Engineering and Technology, Anna University

• NAGALAKSHMI Govindasamy

  Department of Pharmaceutical Chemistry, Erode College of Pharmacy

• Nagalakshmi Govindasamy

  Department Of Pharmaceutical Chemistry Erode College Of Pharmacy

• Puratchikody Ayarivan

  Department Of Pharmaceutical Engineering And Technology Anna University

関連論文

• Experimental and QSAR Studies on Antimicrobial Activity of Benzimidazole Derivatives
• Characteristics of bacterial biofilm associated with implant material in clinical practice

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