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In silico analysis of the tcpr-10mut transport mechanism in fungi. [Poster-B188]

Santos Lopes N., Santana Silva R.J., Andrade B.S., Micheli F.. 2018. In : Abstracts of 12th IPMB2018. Montpellier : IPMB, p. 108-108. Congress of the International Plant Molecular Biology ( IPMB2018). 12, 2018-08-05/2018-08-10, Montpellier (France).

Pathogenesis related-proteins 10 (PR-10) have ribonuclease and antifungal activity. A PR-10 from Theobroma cacao ( TcPR-10 ) identified in a cDNA library from the cacao- Moniliophthora perniciosa interaction showed antifungal activity against M. perniciosa and Saccharomyces cerevisiae , and the TcPR-10 was internalized by both organisms. Previous studies indicated that the antifungal activity and internalization of TcPR-10 appears to be related to Snq2 membrane permeates and transporters. In order to investigate the antifungal action of TcPR-10 and its internalization in fungal cells, molecular docking was performed to check the interaction between the ABC (Snq2) transporter and TcPR-10 mut, recombinant mutant protein with reduced allergenicity potential. The three-dimensional structure of TcPR-10 mut and Snq2 were modelled and used in molecular docking analysis using the ClusPro online toolkit. Snq2 interacted with TcPR-10 mut in its transmembrane domain, suggesting the internalization of this protein by means of this transporter, similarly to the transport of alkaloids.

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