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Computational, structural and functional aspects of hypothetical protein of Aspergillus flavus Pheromone Receptor Pre-A (PRP-A)

Maneesh Kumar, Sindhuprava Rana, Harish Kumar, Pratik Kumar, Manas Ranjan Dikhit, Rani Mansuri, Jainendra Kumar, Ganesh Chandra Sahoo.

Abstract
Pheromone Receptor Pre-A (PRP-A) is a G Protein-coupled receptor (G-PCR protein with seven transmembrane helices) in Aspergillus flavus, a filamentous fungus known for their aflatoxin production, germination and quorum sensing. It causes aspergillosis in human beings and domestic animals. With an aim to find a better inhibitor against aflatoxin, the structure was engineered, designed, screening against various compound databases. The LibDock protein-ligand interaction of DSv3.5 study suggests that blasticidin S, Pipernonaline and Piperin, inhibit PRP-A protein with highest binding affinity. The amino acids frequently involved in binding with the ligand blasticidin S of O2 and H33 and H234 at Arg 400 and Tyr 394 respectively.

Key words: Aspergillus flavus Homology modeling gpr B Model Validation Discovery Studio 3.5



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