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. 2021 Oct 7;9:719949. doi: 10.3389/fchem.2021.719949

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Copyright © 2021 Lin, Lin, Wu, Liu, Cheng, Xu, Li and Dong.

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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2D (A) and 3D (B) inhibitor NP-G2-029 with its abstract pharmacophore model generated by LigandScout. Hydrogen bond acceptor (red arrow), hydrogen bond donor (green arrow), hydrophobic interaction, aromatic ring feature interaction (yellow sphere).