Quantitative structure activity relationship (QSAR) studies of a series of 2,5-disubstituted-1,3,4-oxadiazole derivatives as biologically potential compounds

2,5-disubstituted-1,3,4-oxadiazoles and its derivatives are reported to possess wide spectrum of biological activities ranging from antibacterial, antiviral, anti-Parkinson, anti-HIV, and anti-inflammatory activity. Quantitative structure activity relationship (QSAR) analysis is generally carried ou...

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Bibliographic Details
Published inMedicinal chemistry research Vol. 20; no. 9; pp. 1550 - 1555
Main Authors Pal, Tanushree, Somani, Rakesh R., Shirodkar, Prabhakar Y., Bhanushali, Umesh V.
Format Journal Article
LanguageEnglish
Published New York Springer-Verlag 01.12.2011
Subjects
Biochemistry
Biomedical and Life Sciences
Biomedicine
Cell Biology
Original Research
Pharmacology/Toxicology
1,3,4-Oxadiazole
QSAR
Antibacterial
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Summary:2,5-disubstituted-1,3,4-oxadiazoles and its derivatives are reported to possess wide spectrum of biological activities ranging from antibacterial, antiviral, anti-Parkinson, anti-HIV, and anti-inflammatory activity. Quantitative structure activity relationship (QSAR) analysis is generally carried out to study quantitative relationship between the physicochemical parameters and the biological activity. In the present study, QSAR studies for a set of some disubstituted-1,3,4-oxadiazole derivatives were conducted using TSAR 3.3 software. The in vitro antibacterial activity (MICs) of the compounds against S. aureus and E. coli exhibited good correlation ( n  = 36, r 2  > 0.7, r cv 2  > 0.5, s  = 0.069) with the prediction made by the model. It was found that the polarizability, thermodynamic, and lipophilicity were major responsible factors for exhibiting the activity.
ISSN:1054-2523
1554-8120
DOI:10.1007/s00044-010-9403-5