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. 2017 Feb 2;32(1):311–330. doi: 10.1080/14756366.2016.1250756

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© 2017 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/Licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 12. — (Top) Derived top-scored six-sited (RRRHHH) E-pharmacophore model; (bottom) 176 000 compounds from Otava small-molecules database are screened against derived pharmacophore model and top-1000 compounds that have high Fitness scores with these sites are then docked at the PDE5 binding pocket using Glide/SP (standard precision). Compounds that show high docking scores as well as high fitness scores are shown in the figure. 2D ligand interaction diagram of selected Otava compound (1094821) is also represented in the figure.