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A thermodynamic analysis of the binding specificity between four human pdz domains and eight host, viral and designed ligands
(MDPI AG, 2021-08)
PDZ domains are binding modules mostly involved in cell signaling and cell–cell junctions. These domains are able to recognize a wide variety of natural targets and, among the PDZ partners, viruses have been discovered to ...
Electrochemical and Photophysical Properties of Ruthenium(II) Complexes Equipped with Sulfurated Bipyridine Ligands
(American Chemical Society, 2020-03)
The development of new solar-to-fuel scenarios is of great importance, but the construction of molecular systems that convert sunlight into chemical energy represents a challenge. One specific issue is that the molecular ...
NNAlign-MA; MHC peptidome deconvolution for accurate MHC binding motif characterization and improved t-cell epitope predictions
(American Society for Biochemistry and Molecular Biology, 2019-10)
The set of peptides presented on a cell´s surface by MHC molecules is known as the immunopeptidome. Current mass spectrometry technologies allow for identification of large peptidomes, and studies have proven these data ...
Design, synthesis and evaluation of cholinesterase hybrid inhibitors using a natural steroidal alkaloid as precursor
(Academic Press Inc Elsevier Science, 2021-06-11)
To date, Alzheimers disease is the most alarming neurodegenerative disorder worldwide. This illness is multifactorialin nature and cholinesterase inhibitors have been the ones used in clinical treatments. In this context,many ...
Ligandos tipo salen en química de coordinación: Una breve revisión
(Universidad de Los Andes. Facultad de Ingeniería, 2018-09)
Ochenta y cinco años después de la publicación de los primeros complejos con el ligando salen (N,N?-bis(salicilideno)etilendiamina), este sigue ocupando un papel preponderante en la química de coordinación. Esto es ...
ChemVA: Interactive visual analysis of chemical compound similarity in virtual screening
(IEEE Computer Society, 2021-02-13)
In the modern drug discovery process, medicinal chemists deal with the complexity of analysis of large ensembles of candidate molecules. Computational tools, such as dimensionality reduction (DR) and classification, are ...
Aryl hydrocarbon receptor activation leads to impairment of estrogen-driven chicken vitellogenin promoter activity in LMH cells
(Elsevier Science Inc., 2013-03)
The aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor that mediates most of the toxic effects of environmental contaminants. Among the multiple pleiotropic responses elicited by AHR agonists, the ...
Diagnostic and Therapeutic Potential of Extracellular Vesicles in B-Cell Malignancies
(Frontiers Media, 2020-09)
Extracellular vesicles (EV), comprising microvesicles and exosomes, are particles released by every cell of an organism, found in all biological fluids, and commonly involved in cell-to-cell communication through the ...
The Contribution of Biophysics and Structural Biology to Current Advances in COVID-19
(Annual Reviews, 2021-05)
Critical to viral infection are the multiple interactions between viral proteins and host-cell counterparts. The first such interaction is the recognition of viral envelope proteins by surface receptors that normally fulfil ...
Localization of agonist and competitive antagonist binding sites on nicotinic acetylcholine receptors
(Pergamon-Elsevier Science Ltd, 2000-06-01)
Identification of all residues involved in the recognition and binding of cholinergic ligands (e.g. agonists, competitive antagonists, and noncompetitive agonists) is a primary objective to understand which structural ...