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Keywords
(3)
Computational Grid
Dengue Virus
Virtual Screening
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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
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Novel Inhibitors of Dengue Virus Methyltransferase: Discovery by in Vitro-Driven Virtual Screening on a Desktop Computer Grid
(
Citations: 4
)
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Michael Podvinec
,
Siew Pheng Lim
,
Tobias Schmidt
,
Marco Scarsi
,
Daying Wen
,
Louis-Sebastian Sonntag
,
Paul Sanschagrin
,
Peter S. Shenkin
,
Torsten Schwede
Journal:
Journal of Medicinal Chemistry - J MED CHEM
, vol. 53, no. 4, pp. 1483-1495, 2010
DOI:
10.1021/jm900776m
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Citation Context
(4)
...,
...
Maude Tremblay-Létourneau
,
et al.
Virtual High-Throughput Screening Identifies Mycophenolic Acid as a No...
...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 Liu
,
et 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 Yoo
,
et 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 Yoo
,
et al.
Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase ...
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Citations
(4)
Virtual High-Throughput Screening Identifies Mycophenolic Acid as a Novel RNA Capping Inhibitor
Maude Tremblay-Létourneau
,
Simon Despins
,
Isabelle Bougie
,
Martin Bisaillon
Journal:
PLOS One
, vol. 6, no. 9, 2011
Flavivirus RNA cap methyltransferase: structure, function, and inhibition
Lihui Liu
,
Hongping Dong
,
Hui Chen
,
Jing Zhang
,
Hua Ling
,
Zhong Li
,
Pei-Yong Shi
,
Hongmin Li
Published in 2010.
Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase
(
Citations: 2
)
Jakyung Yoo
,
José L. Medina-Franco
Journal:
Journal of Computer-aided Molecular Design - JCAMD
, pp. 1-13
Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studies
Jakyung Yoo
,
José L. Medina-Franco
Journal:
Journal of Molecular Modeling - J MOL MODEL
, pp. 1-7