The in silico characterization of a salicylic acid analogue coding gene clusters in selected Pseudomonas fluorescens strains

Document Type: Research Paper

Authors

1 Department of Biochemistry, Abdul Wali Khan University Mardan, Khyber Pakhtunkhwa, Pakistan

2 Department of Biochemistry, Abdul Wali Khan University Mardan, Pakistan

Abstract

Background: The microbial genome sequences provide solid in silico framework for interpretation their drug-like chemical scaffolds biosynthetic potential. The Pseudomonas fluorescens species is metabolically versatile and producing therapeutically important natural products.
Objectives: The main objective of the present study was to mine the publically available data of P. fluorescens strains genomes for putative drug-like metabolites identification.
Material and Methods: We implemented the computational biology resources of AntiSMASH and BAGEL3 for the secondary metabolites prediction from the P. fluorescens strains genome sequences. The predicted secondary metabolites were evaluated using drug discovery chemoinformatics resources, like Drugbank database search and molecular docking inspection.
Results: The analyses unveiled a wide array of chemical scaffolds biosynthesis in different P. fluorescens strains. Subsequently, the drug-like potential evaluation of these metabolites identified few strains, including P. fluorescens PT14, P. fluorescens A5O6, and P. fluorescens FW300-N2E3 that harbor the biosynthetic gene clusters for salicylic acid like metabolite biosynthesis. The molecular docking inspection of this metabolite against human cyclooxygenase and aldo-keto reductase targets revealed its feasible inhibitory potentials like other salicylates compounds.
Conclusion: The computational biology and drug discovery analyses identified different gene clusters in P. fluorescens genomes coding for salicylic acid like chemotypes biosynthesis. These gene clusters may worthy to target through metabolic engineering for the massive production of salicylates-like chemical scaffolds from microbial resources.

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