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- W2078474275 abstract "Hydroxyphenylpyruvate dioxygenase (HPPD) has proven to be a very successful target for the development of herbicides with bleaching properties, and today HPPD inhibitors are well established in the agrochemical market. Syngenta has a long history of HPPD-inhibitor research, and HPPD was chosen as a case study for the validation of diverse ligand- and target-based virtual screening approaches to identify compounds with inhibitory properties. Two-dimensional extended connectivity fingerprints, three-dimensional shape-based tools (ROCS, EON, and Phase-shape) and a pharmacophore approach (Phase) were used as ligand-based methods; Glide and Gold were used as target-based. Both the virtual screening utility and the scaffold-hopping ability of the screening tools were assessed. Particular emphasis was put on the specific pitfalls to take into account for the design of a virtual screening campaign in an agrochemical context, as compared to a pharmaceutical environment." @default.
- W2078474275 created "2016-06-24" @default.
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- W2078474275 date "2010-04-01" @default.
- W2078474275 modified "2023-10-12" @default.
- W2078474275 title "HPPD: Ligand- and Target-Based Virtual Screening on a Herbicide Target" @default.
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- W2078474275 doi "https://doi.org/10.1021/ci900498n" @default.
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