CAZyme3D: a database of 3D structures for carbohydrate-active enzymes.

CAZymes ( C arbohydrate A ctive En Zymes ) degrade, synthesize, and modify all complex carbohydrates on Earth. CAZymes are extremely important to research in human health, nutrition, gut microbiome, bioenergy, plant disease, and global carbon recycling. Current CAZyme annotation tools are all based on sequence similarity.

Impact of a Cancer-Associated Mutation on Poly(ADP-ribose) Polymerase1 Inhibition.

Poly(ADP-ribose) polymerase1 (PARP1) plays a vital role in DNA repair and its inhibition in cancer cells may cause cell apoptosis. In this study, we investigated the effects of a PARP1 variant, V762A, which is strongly associated with several cancers in humans, on the inhibition of PARP1 by three FDA approved inhibitors: niraparib, rucaparib and talazoparib. Our work suggests that these inhibitors bind to the V762A mutant more effectively than to the wild-type (WT), with similar binding free energies between them.

Microstructure, Mechanical Properties and Corrosion Performance of Laser-Welded NiTi Shape Memory Alloy in Simulated Body Fluid.

Laser-welding is a promising technique for welding NiTi shape memory alloys with acceptable tensile strength and comparable corrosion performance for biomedical applications. The microstructural characteristics and localized corrosion behavior of NiTi alloys in a simulated body fluid (SBF) environment are evaluated. A microstructural examination indicated the presence of fine and equiaxed grains with a B2 austenite phase in the base metal (BM), while the weld metal (WM) had a coarse dendritic microstructure with intermetallic precipitates including TiNi and NiTi.