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Hybrid phenylthiazole and 1,3,5-triazine target cytosolic leucyl-tRNA synthetase for antifungal action as revealed by molecular docking studies

Udaya Pratap Singh134*, Hans Raj Bhat1, Prashant Gahtori2 and Ramendra K Singh13*

Author Affiliations

1 Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Sciences, Deemed University, Allahabad 211007, India

2 Faculty of Pharmacy, Uttarakhand Technical University, Deharadun, 248007, India

3 Nucleic Acids Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad 211002, India

4 Present Address: Archimedes DoRa5 Visiting Fellow, Institute of Chemistry, Division of Bio-organic Chemistry, Institute of Chemistry, University of Tartu, Tartu, Estonia

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In Silico Pharmacology 2013, 1:3  doi:10.1186/2193-9616-1-3

Published: 12 February 2013



Leucyl-tRNA synthetase (LeuRS) is one of the essential enzymes belonging to the family of aminoacyl-tRNA synthetases (aaRSs), which executes the translation of genetic code by catalyzing the specific attachment of amino acids to their cognate tRNAs. This process is very crucial for survival of micro-organism and thus the inhibition of LeuRS offered a novel and lucrative target for developing new antimicrobials.


Docking studies using hybrid phenylthiazole-1,3,5-triazine derivatives revealed that these molecules acted as probable inhibitors of candida albicans cytosolic leucyl-tRNA synthetase


The conjugates of phenylthiazole and 1,3,5-triazine can act as lead molecules towards the development of potential leucyl-tRNA synthetase inhibitors on the basis of molecular docking runs, which contribute to the possible mechanism of antifungal activity of these analogues.

Leucyl-tRNA synthetase; Docking; phenylthiazole; 1,3,5-triazine