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Insights from investigating the interaction of oseltamivir (Tamiflu) with neuraminidase of the 2009 H1N1 swine flu virus.
It has been revealed that the hydrophobic residue Try347 in H5N1-NA does not match with the Hydrophilic carboxyl group of oseltamivir as in the case of H1N 1-NA, which may be the reason why H 5N1 avian influenza virus is drug-resistant to oselTamivIR. Expand
Pallidifloside D from Smilax riparia enhanced allopurinol effects in hyperuricemia mice.
The results showed that the synergistic effects of allopurinol combined with Pallidifloside D were linked to the inhibition of both serum and hepatic xanthine oxidase (XOD), the down- regulation of renal mURAT1 and mGLUT9, and the up-regulation of mOAT1. Expand
JMJD6 regulates histone H2A.X phosphorylation and promotes autophagy in triple-negative breast cancer cells via a novel tyrosine kinase activity
It is shown that combined inhibition of JMJD6 kinase activity and autophagy efficiently decreases TNBC growth, and these findings suggest an effective strategy for TNBC treatment. Expand
Computational 3D structures of drug-targeting proteins in the 2009-H1N1 influenza A virus
Abstract The neuraminidase (NA) and M2 proton channel of influenza virus are the drug-targeting proteins, based on which several drugs were developed. However these once powerful drugs encounteredExpand
Designing Inhibitors of M2 Proton Channel against H1N1 Swine Influenza Virus
The NMR structure of M2 proton channel provides a reliable structural basis for rational drug design against influenza virus and may overcome the drug resistance problem of influenza A virus to the adamantane-based drugs. Expand
SAHA-based novel HDAC inhibitor design by core hopping method.
This work provided an approach to design novel high-efficiency HDAC inhibitors with better ADMET properties and molecular dynamics simulation of the representative compound 101 was performed to study the stability of HDAC8-inhibitor system. Expand
Anti-hyperuricemia effects of allopurinol are improved by Smilax riparia, a traditional Chinese herbal medicine.
The anti-hyperuricemia effects of allopurinol are improved by Smilax riparia co-administration, and this data may have a potential value in clinical practice in the treatment of gout and other hyperuricemic conditions. Expand
MDM2–MOF–H4K16ac axis contributes to tumorigenesis induced by Notch
It is observed that aberrantly high levels of Notch activity resulted in H4K16ac downregulation in hepatocellular carcinoma and breast cancer cell lines and tissues and this downregulated acetylation was a consequence of increased male on the first degradation following the upregulation of full‐length murine double minute 2 in different cancer types. Expand
Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method
It has been shown through the subsequent molecular docking studies and molecular dynamic simulations that Neo6 not only assumes more favorable conformation at the binding pocket of HA but also has stronger binding interaction with its receptor. Expand
Analogue inhibitors by modifying oseltamivir based on the crystal neuraminidase structure for treating drug-resistant H5N1 virus.
It is revealed through the structure that the active sites of the group-1 neuraminidases, which contain the N1 subtype, have a very different three-dimensional structure from those of group-2 neuraminidsases. Expand