Characterization of the binding capacity of mercurial species in Lactobacillus strains.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the science of food and agriculture"
DOI: 10.1002/jsfa.8388
Abstract: BACKGROUND Metal sequestration by bacteria has been proposed as a strategy to counteract metal contamination in foodstuffs. Lactobacilli can interact with metals, although studies with important foodborne metals such as inorganic [Hg(II)] or organic (CH3… read more here.
Keywords: binding capacity; characterization binding; lactobacillus strains; cell wall ... See more keywords
Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-020-00306-0
Abstract: The programmed cell death protein 1 (PD-1) and its ligand, PD-L1, constitute an important co-inhibitory immune checkpoint leading to downregulation of immune system. Tumor cells developed a strategy to trigger PD-1/PD-L1 pathway reducing the T… read more here.
Keywords: grid dry; dry approach; binding sites; characterization binding ... See more keywords
Spectroscopic characterization and Binding interaction of heavy metal onto the Surface Receptor of the Azobenzene: DFT and experimental approach
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.130962
Abstract: Abstract The azobenzene 1-arylazo-2-naphthol has been synthesized and characterized by elemental analysis, 1H NMR, IR and UV–Vis spectroscopies using both experimental and theoretical methods. The MEP, NPA and FMOs have also been performed at the… read more here.
Keywords: spectroscopic characterization; characterization binding; binding interaction; interaction ... See more keywords
Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00172
Abstract: A quantitative characterization of the binding properties of drug fragments to a target protein is an important component of a fragment-based drug discovery program. Fragments typically have a weak binding affinity, however, making it challenging… read more here.
Keywords: molecular dynamics; quantitative characterization; drug; characterization binding ... See more keywords
Integrated ESI-MS/EPR/computational characterization of the binding of metal species to proteins: vanadium drug–myoglobin application
Sign Up to like & getrecommendations! Published in 2019 at "Inorganic Chemistry Frontiers"
DOI: 10.1039/c9qi00179d
Abstract: An integrated strategy based on ESI-MS spectrometry, EPR spectroscopy and docking/QM computational methods is applied to the systems formed by VIVO2+ ions and four potential VIVOL2 drugs and myoglobin. This approach is generizable to other… read more here.
Keywords: esi epr; computational characterization; epr computational; binding metal ... See more keywords
The Characterization of Binding between Aptamer and Bisphenol A and Developing Electrochemical Aptasensors for Bisphenol A with Rationally Engineered Aptamers
Sign Up to like & getrecommendations! Published in 2022 at "Biosensors"
DOI: 10.3390/bios12110913
Abstract: Bisphenol A (BPA) is widely used in the manufacture of polycarbonate and epoxy-resin-based products, and BPA contamination often happens in a variety of types of environment and food stuffs. BPA can cause many harmful effects… read more here.
Keywords: binding aptamer; bpa; detection; bisphenol ... See more keywords