International Journal of Multidisciplinary Research and Development

International Journal of Multidisciplinary Research and Development


International Journal of Multidisciplinary Research and Development
International Journal of Multidisciplinary Research and Development
Vol. 5, Issue 12 (2018)

QSAR and docking study of some benzothiazole derivatives as anthelmintics


FA Omer, Hiba H Mahgoub, AEM Saeed

Modeling studies using QSAR and molecular docking methods were performed on a set of benzothiazole derivatives previously studied as effective anthelmintic agents, the method of multiple linear regression (MLR) was explored to build the QSAR model, the model tested showed high performance towards its predictability, having the squared correlation coefficient r2 = 0.8004, correlation coefficient r = 0.8946 and cross-validated squared correlation coefficient Q2 = 0.6597. The predicted model was confirmed by validation method: leave-one-out (LOO) cross validation. The molecular docking study of compounds on 5e0o as the protein target helps to understand and predict the binding modes with the binding sites.
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How to cite this article:
FA Omer, Hiba H Mahgoub, AEM Saeed. QSAR and docking study of some benzothiazole derivatives as anthelmintics. International Journal of Multidisciplinary Research and Development, Volume 5, Issue 12, 2018, Pages 148-151
International Journal of Multidisciplinary Research and Development International Journal of Multidisciplinary Research and Development