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bioRxiv · 10.1101/2022.04.07.487516

Subtractive proteomics analysis to uncover the potent drug targets for distinctive drug design of Candida auris

Bappy, M. N. I.·Robin, T. B.·Prome, A. A.·Laskar, F. S.·Roy, A.·Akter, H.·Zinnah, K. M. A.
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Abstract

Candida auris is a serious health concern of current world that possess serious global health threat and is emerging at a high rate. Available antifungal drugs are failing to combat this pathogen as they are growing resistance toward those drugs and some strains have already showed resistant to all three available antifungal drugs in the market. Finding alternative treatments is a must, therefore, to save lives from this foe. To make the way easier for developing new treatments, we have made some insilico analysis of this pathogen to identify suitable targets for designing drugs and also suggested some potential metabolites to test in vivo condition after some computational analysis. After the subtraction of duplicate, non-essential, human homologs, non-metabolic, human microbiome similar and druggable proteins we ended up with three proteins (XP_028890156.1, XP_028891672.1 and XP_028891858.1) from a total of 5441 C. auris proteins. Blocking those proteins will result in the destruction of the pathogen while the host will remain safe from unintentional blocking. Their subcellular locations and interaction with high number of proteins also indicate their suitability as drug target candidates. After analyzing in silico docking of 29 potential antifungal from plant origin with those three proteins we selected Caledonixanthone E, Viniferin, Glaucine, Jatrorrhizine as the most potent weapon to block those proteins as they showed higher binding affinity. Furthermore, they were predicted to be safe and also showed proper ADME properties (Figure 1). O_FIG O_LINKSMALLFIG WIDTH=179 HEIGHT=200 SRC="FIGDIR/small/487516v1_fig1.gif" ALT="Figure 1"> View larger version (30K): org.highwire.dtl.DTLVardef@5ac4bcorg.highwire.dtl.DTLVardef@12a4b3eorg.highwire.dtl.DTLVardef@1b1d825org.highwire.dtl.DTLVardef@e581b3_HPS_FORMAT_FIGEXP M_FIG O_FLOATNOFigure 1:C_FLOATNO Schematic pipeline of the process C_FIG

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Bappy, M. N. I., Robin, T. B., Prome, A. A., Laskar, F. S., Roy, A., Akter, H., Zinnah, K. M. A.. 2022-04-10. Subtractive proteomics analysis to uncover the potent drug targets for distinctive drug design of Candida auris. https://doi.org/10.1101/2022.04.07.487516

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