- Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase
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Free Energy Perturbation (FEP) calculations can provide high-confidence predictions of the interaction strength between a ligand and its protein target. We sought to explore a series of triazolopyrimidines which bind to the EED subunit of the PRC2 complex
- O' Donovan, Daniel H.,Gregson, Clare,Packer, Martin J.,Greenwood, Ryan,Pike, Kurt G.,Kawatkar, Sameer,Bloecher, Andrew,Robinson, James,Read, Jon,Code, Erin,Hsu, Jessie Hao-Ru,Shen, Minhui,Woods, Haley,Barton, Peter,Fillery, Shaun,Williamson, Beth,Rawlins, Philip B.,Bagal, Sharan K.
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supporting information
(2021/03/29)
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- 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides
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4-Aminopicolinic acids having tri- and tetra-substituted aryl substituents in the 6-position, and their amine and acid derivatives, are potent herbicides demonstrating a broad spectrum of weed control.
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Page/Page column 14
(2008/06/13)
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- PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS
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The present invention relates generally to phenylglycinamide derivatives that inhibit serine proteases. In particular it is directed to novel phenylglycinamide derivatives, and analogues thereof, which are useful as selective inhibitors of serine protease enzymes of the coagulation cascade; for example thrombin, factor VIIa, factor Xa, factor XIa, factor IXa, and/or plasma kallikrein. In particular, it relates to compounds that are factor VIIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.
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Page/Page column 169
(2008/06/13)
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