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. 2020 Jan 31;10:1678. doi: 10.3389/fphar.2019.01678

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Copyright © 2020 Gaspar, da Silva, Stapleton, Fontelles, Sousa, Chagas, Alsufyani, Trostchansky, Gibbins and Paes

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Feasible interactions for Myricetin with PDI and ERp5 predicted through molecular docking. The predicted poses of interaction between myricetin and different thiol isomerases were assessed using AutoDock 4.2 package as described in Methods. (A) Pose of highest affinity for PDI and detailed intermolecular interactions. (B) Pose of highest affinity for ERp5 and detailed intermolecular interactions. Additional information on interactions and other possible poses are described in Supplementary Tables 1 and 2 .