Structural basis of tolvaptan binding to the vasopressin V receptor.

The vasopressin V receptor (VR) is a validated therapeutic target for autosomal dominant polycystic kidney disease (ADPKD), with tolvaptan being the first FDA-approved antagonist. Herein, we used Gaussian accelerated molecular dynamics simulations to investigate the spontaneous binding of tolvaptan to both active and inactive VR conformations at the atomic-level. Overall, the binding process consists of two stages.

An online target and rapid screening method for α-glucosidase inhibitors based on capillary electrophoresis.

Screening enzymatic active compounds is one of the important fields in drug research. α-Glucosidase can hydrolyze carbohydrates to monosaccharides after meals and lead to the rise of blood glucose levels in human body. Thus, the inhibition of α-glucosidase activity is an effective approach for the diabetes treatment.

A Molecular Modeling Study of the Hydroxyflutamide Resistance Mechanism Induced by Androgen Receptor Mutations.

Hydroxyflutamide (HF), an active metabolite of the first generation antiandrogen flutamide, was used in clinic to treat prostate cancer targeting androgen receptor (AR). However, a drug resistance problem appears after about one year's treatment. AR T877A is the first mutation that was found to cause a resistance problem.

[White light upconversion luminescence and its mechanism of Yb3+/Ho3+/Tm3+ co-doped tellurite glass].

Yb3+ /Ho3+, Yb3+ /Tm3+ and Yb3+ /Ho3+ /Tm3+ co-doped tellurite glasses were prepared by melt-quenching method. Under the excitation of 980 nm laser, Yb3+ /Ho3+/Tm3+ co-doped glass sample shows strong blue, green and red emissions, corresponding to the transitions 1G4 --> 3H6 of Tm3+, 5F4 (5S2) --> 5 I8 of Ho3+, as well as 5F5 -->5 I8 of Ho3+ and 1G4 --> 3F4 of Tm3+ ions, respectively. It was found that the integrated emission intensity ratio of the red to green in Yb3+/Ho3+ /Tm3+ co-doped sample (3.