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. 2019 Jan 14;9:3322. doi: 10.3389/fmicb.2018.03322

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Copyright © 2019 Jukič, Rožman, Sova, Barreteau and Gobec.

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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Left: 3D representation of a pharmacophore model based on inhibitor BPH-629 (green spheres represent H-bond donating feature (HBD), red spheres represent H-bond acceptor feature (HBA) while yellow-colored sphere represents a lipohilic feature. Gray colored spheres are exclusion cones based on crystal structure PDB ID: 2E98); right is a 2D projection of BPH-629 inhibitor with explicitly defined pharmacophoric features.