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Novel Inhibitors of Dengue Virus Methyltransferase: Discovery by in Vitro-Driven Virtual Screening on a Desktop Computer Grid

Novel Inhibitors of Dengue Virus Methyltransferase: Discovery by in Vitro-Driven Virtual Screening on a Desktop Computer Grid,10.1021/jm900776m,Journa

Novel Inhibitors of Dengue Virus Methyltransferase: Discovery by in Vitro-Driven Virtual Screening on a Desktop Computer Grid   (Citations: 4)
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Journal: Journal of Medicinal Chemistry - J MED CHEM , vol. 53, no. 4, pp. 1483-1495, 2010
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    • ...Various inhibitors have been found through the use of a variety of techniques including cell-based assay and virtual screening (Benarroch et al., 2004; Luzhkov et al., 2007; Dong et al., 2008b, 2008c; Lim et al., 2008; Bollati et al., 2009a; Milani et al., 2009; Puig-Basagoiti et al., 2009; Sampath and Padmanabhan, 2009; Podvinec et al., 2010; Selisko et al., 2010)...
    • ...When virtual screening was applied to compound libraries, several inhibitors were found to inhibit the 2'-O MTase activity with IC50 (50% inhibition concentration) values in the micromolar range (Luzhkov et al., 2007; Milani et al., 2009; Podvinec et al., 2010)...

    Lihui Liuet al. Flavivirus RNA cap methyltransferase: structure, function, and inhibit...

    • ...This group includes curcumin [31‐33], parthenolide [34‐ 38], and RG108-1 [39], a maleimide analogue of RG108 (vide infra); (3) non-nucleoside and non-covalent blockers such as hydralazine [40‐44], procaine [45‐47], procainamide [41, 48], (-)-epigallocatechin-3-gallate (EGCG) [49‐ 53], and mahanine [54, 55]; and (4) non-covalent blockers identified from virtual screening such as RG108 [56‐58] and NSC14778 [59, 60]...

    Jakyung Yooet al. Homology modeling, docking and structure-based pharmacophore of inhibi...

    • ...For example, 5,5-methylenedisalicylic acid also emerged as an experimentally validated hit of a virtual screening with the viral NS5 RNA methyltransferase, a promising drug target against flaviviruses which are the causative agents of severe diseases such as Dengue or Yellow fever [26]...

    Jakyung Yooet al. Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase ...

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