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. 2019 Nov 21;7:773. doi: 10.3389/fchem.2019.00773

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Copyright © 2019 Lima, Cassiano, Tomaz, Silva, Sousa, Ferreira, Tavella, Calit, Bargieri, Neves, Costa and Andrade.

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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Molecular interactions of LabMol-171 with (A) CDPK1(cyan), (B) CDPK4 (purple), and (C) PK6 (orange) obtained by docking. In 3D representation (left), hydrogen bonds are presented as yellow dashed lines, and the color code of oxygen, nitrogen and hydrogen atoms are red, blue, and white, respectively. The carbon atoms of LabMol-171 colored as gray. In 2D interaction diagrams (right) hydrogen bond are presented as magenta arrows.