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Zika virus proteins at an atomic scale: how does structural biology help us to understand and develop vaccines and drugs against zika virus infection?
(Universidade Federal de Minas GeraisBrasilICX - DEPARTAMENTO DE QUÍMICAUFMG, 2019-08-29)
Modulation of the Allosteric Communication between the Polo-Box Domain and the Catalytic Domain in Plk1 by Small Compounds
(American Chemical Society, 2018-08)
The Polo-like kinases (Plks) are an evolutionary conserved family of Ser/Thr protein kinases that possess, in addition to the classical kinase domain at the N-terminus, a C-terminal polo-box domain (PBD) that binds to ...
Characterization of interactions between polyphenolic compounds and human serum proteins by capillary electrophoresis
(SPRINGER HEIDELBERG, 2008)
The interaction of ten natural polyphenolic compounds (chlorogenic acid, apigenin, catechin, epicatechin, flavanone, flavone, quercetin, rutin, vicenin-2 and vitexin) with human serum albumin and mixtures of human serum ...
Intrinsic allosteric inhibition of signaling proteins by targeting rare interaction states detected by high-pressure NMR spectroscopy
(Wiley-VCH VerlagWeinheim, 2013-12)
A new type of allosteric inhibition by small molecules is proposed that should be applicable to all proteins involved intrinsically in protein-protein interactions. It is based on targeting their rare interaction states ...
Predicting protein targets for drug-like compounds using transcriptomics
(Public Library of Science, 2018-12)
An expanded chemical space is essential for improved identification of small molecules for emerging therapeutic targets. However, the identification of targets for novel compounds is biased towards the synthesis of known ...
Computational Biology Tools for Identifying Specific Ligand Binding Residues for Novel Agrochemical and Drug Design
(Bentham Science Publ Ltd, 2015-01-01)
The term agrochemicals is used in its generic form to represent a spectrum of pesticides, such as insecticides, fungicides or bactericides. They contain active components designed for optimized pest management and control, ...
Computational biology tools for identifying specific ligand binding residues for novel agrochemical and drug design
(2015-01-01)
The term “agrochemicals” is used in its generic form to represent a spectrum of pesticides, such as insecticides, fungicides or bactericides. They contain active components designed for optimized pest management and control, ...
Small Molecules as Anti-TNF Drugs
(Bentham Science Publishers, 2015)
Tumor necrosis factor (TNF, TNF-α, cachectin) is a pleiotropic, proinflammatory cytokine with multiple biological effects, many of which are not yet fully understood. Although TNF was initially described as an anti-tumor ...
Virtual Screening of Plant Volatile Compounds Reveals a High Affinity of Hylamorpha elegans (Coleoptera: Scarabaeidae) Odorant-Binding Proteins for Sesquiterpenes From Its Native Host
(2016)
Hylamorpha elegans (Burmeister) is a native Chilean scarab beetle considered to be a relevant agricultural pest to pasture and cereal and small fruit crops. Because of their cryptic habits, control with conventional methods ...