Journal article
A. Pandey, M. H. Siddiqui, R. Dutta
Bioinformation, 2019
Bioinformation, 2019
Semantic Scholar
DOI
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APA
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Pandey, A., Siddiqui, M. H., & Dutta, R. (2019). Drug-likeness prediction of designed analogues of isoniazid standard targeting FabI enzyme regulation from P. falciparum. Bioinformation.
Chicago/Turabian
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Pandey, A., M. H. Siddiqui, and R. Dutta. “Drug-Likeness Prediction of Designed Analogues of Isoniazid Standard Targeting FabI Enzyme Regulation from P. Falciparum.” Bioinformation (2019).
MLA
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Pandey, A., et al. “Drug-Likeness Prediction of Designed Analogues of Isoniazid Standard Targeting FabI Enzyme Regulation from P. Falciparum.” Bioinformation, 2019.
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@article{a2019a,
title = {Drug-likeness prediction of designed analogues of isoniazid standard targeting FabI enzyme regulation from P. falciparum},
year = {2019},
journal = {Bioinformation},
author = {Pandey, A. and Siddiqui, M. H. and Dutta, R.}
}
Abstract
Fatty acid biosynthesis enzymes (Fab enzyme) are important targets for anti-malarial drug development. The present study describes the toxicity screening of designed novel analogues which inhibit FabI enzyme regulation, a protein with multifunctional property. New analogues were prepared using ChemDraw Ultra 10 Software and converted into 3D PDB structure format for binding studies with FabI (PDB ID: 4IGE). Further Lipinski's rule of FIVE and ADMET profiling for toxicity prediction has been performed on the designed analogues. The result shows that ISN-23 is potential analogue exhibiting inhibition at the active site of FabI enzyme with good binding features.
