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. 2020 Dec 14;8:593497. doi: 10.3389/fchem.2020.593497

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Copyright © 2020 Banerjee, Sankar, Singh and Chandra.

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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The structural model of the three shortlisted target candidates predicted along with the pocket identified from the consensus approach. (A) The structures predicted for each of the 3 proteins, i.e., ald (Rv2780), cmtR (Rv1994c), and fadD19 (Rv3515c), are represented in cartoon format. (B) The docking pose of the best drugs for the targets. fadD19 (Rv3515c) is docked against Bempedoic acid and Cobimetinib, while cmtR (Rv1994c) is docked with Pioglitazone. No drug hits are identified for ald (Rv2780). (C) Three-dimensional structures of the 3 docked ligands.