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In March and April 2009, an outbreak of H1N1 influenza in Mexico led to hundreds of confirmed cases and a number of deaths. The worldwide spread of H1N1 had attracted everyone's attention and arisen an overwhelm fear. Up to now, there is still an urgent need in the solution for ending this light. In this study, a QSAR model of neuraminidase (NA) type 1 (N1) provides an access. The pharmacophore map...
AMP-activated protein kinase (AMPK) is a metabolite- sensed protein kinase in various eukaryotes. The activated AMPK regulates important proteins which cause diabetes, obesity, metabolic aberrant, and also breast cancer. In this study, the yeast AMPK structure was used as a template to model the human AMPK structure. By homology modeling, the reliable AMPK structure was built, and the active binding...
XRCC4 was well known as the downstream of KU86-DNA complex. They both play an important role in the DNA double-strain breaks (DSBs) repair system subpathway, nonhomologous end joining (NHEJ). In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 from our TCM database. The docking results were analyzed to point out potent compounds...
Microsomal prostablandin E synthase-1 (mPGES-1) has been recently investigated to be a novel and promising target for inflammation-related diseases. The quantitative structure-activity relationship (QSAR) study was used to explore the critical pharmacophore features of mPGES-1 by using a set of 35 azaphenanthrenone derivatives. Twenty four selected pharmacophore models derived from 240 hypotheses...
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