Biologia Sintética e de Sistemas Atual
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A Potential Screening of Peptide Deformylase Inhibitors Towards the Control of Aeromonas hydrophila

Vijai Singh and Indra Mani

Currently, the prevalence of multidrug resistance Aeromonas hydrophila is one of the major issues and challenges for aquatic and terrestrial organisms. Therefore, an urgent need arises to control it using a potent and specific drug. Here, we identified a peptide deformylase (PDF) in A. hydrophila , which is a ubiquitous enzyme and one of the most attractive drug targets. We used the PDF protein sequences for generating a 3-D model using homology modeling. The 3-D model was validated and it was found 91% of the present amino acids in allowed regions of the Ramachandran plot. We used the 3-D model of PDF for the screening of drugs through molecular docking and found BB-3497, actinonin, and BBS-02 were more potent than other studied drugs based on binding energy. We have also generated a phylogenetic tree of PDF from A. hydrophila with other homologous bacteria, suggesting that similar drugs could also be applied to the control of those bacteria. These findings provide a new insight for the better understanding of PDF, which is a novel target for the development of more potent inhibitors towards the better control of multidrug resistant A. hydrophila .