DOCKING ANALYSIS FOR PREDICTING THE MECHANISM OF ACTION OF ASPERGILLUS NIGER METABOLITES AGAINST CLADOSPORIUM PATHOGENICITY.

Abstract:Cladosporium species are significant plant pathogens, causing various crop diseases effecting cereals, pulses, legumes and fruits. The Avr4 protein, a common conserved protein of the Cladosporium species is mainlyinvolved in the pathogenecity of the species. In the present the the extract from the Aspergilus niger has beenexplored for its potent metabolites by LCMS analysis and the listed compounds were considered as ligands fordocking against the Cladosporium virulence protein. Docking and visuilazation was performed using theSchrödinger’s suits. The results showed the prominent interaction of the ligands CPD2 and CPD 19 with thelowest binding energy of -5.3kcal/mol and -7.786kcal/mol respectively. Along with this the major compoundhexadecanamide from the Aspergillus niger showed two prominent hydrogen bonding and -6.4kcal/mol bindingenery confirming its predominent inhibition on the clarosporium virulent protein. Overall the study authenticatesthe possibility of Aspergillus niger exract being the natural pesticide against cladosporium.