Novel natural scaffold as hURAT1 inhibitor identified by 3D-shape-based, docking-based virtual screening approach and biological evaluation.
Sign Up to like & getrecommendations! Published in 2021 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2021.105444
Abstract: As a promising therapeutic target for gout, hURAT1 has attracted increasing attention. In this work, we identified a novel scaffold of hURAT1 inhibitors from a personal natural product database of verified herb-treated gout. First, we… read more here.
Keywords: shape based; hurat1; based docking; scaffold hurat1 ... See more keywords
SnapDock—template-based docking by Geometric Hashing
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DOI: 10.1093/bioinformatics/btx233
Abstract: Motivation: A highly efficient template‐based protein‐protein docking algorithm, nicknamed SnapDock, is presented. It employs a Geometric Hashing‐based structural alignment scheme to align the target proteins to the interfaces of non‐redundant protein‐protein interface libraries. Docking of… read more here.
Keywords: snapdock template; template; template based; based docking ... See more keywords