The nose-horned viper, its nominotypical subspecies Vipera ammodytes ammodytes (Vaa), in particular, is, medically, one of the most relevant snakes in Europe. The local and systemic clinical manifestations of poisonin...
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The nose-horned viper, its nominotypical subspecies Vipera ammodytes ammodytes (Vaa), in particular, is, medically, one of the most relevant snakes in Europe. The local and systemic clinical manifestations of poisoning by the venom of this snake are the result of the pathophysiological effects inflicted by enzymatic and nonenzymatic venom components acting, most prominently, on the blood, cardiovascular, and nerve systems. This venom is a very complex mixture of pharmacologically active proteins and peptides. To help improve the current antivenom therapy toward higher specificity and efficiency and to assist drug discovery, we have constructed, by combining transcriptomic and proteomic analyses, the most comprehensive library yet of the Vaa venom proteins and peptides. Sequence analysis of the venom gland cDNA library has revealed the presence of messages encoding 12 types of polypeptide precursors. The most abundant are those for metalloproteinase inhibitors (MPis), bradykinin-potentiating peptides (BPPs), and natriuretic peptides (NPs) (all three on a single precursor), snake C-type lectin-like proteins (snaclecs), serine proteases (SVSPs), P-II and P-III metalloproteinases (SVMPs), secreted phospholipases A(2) (sPLA(2)s), and disintegrins (Dis). These constitute >88% of the venom transcriptome. At the protein level, 57 venom proteins belonging to 16 different protein families have been identified and, with SVSPs, sPLA(2)s, snaclecs, and SVMPs, comprise similar to 80% of all venom proteins. Peptides detected in the venom include NPs, BPPs, and inhibitors of SVSPs and SVMPs. Of particular interest, a transcript coding for a protein similar to P-III SVMPs but lacking the MP domain was also found at the protein level in the venom. The existence of such proteins, also supported by finding similar venom gland transcripts in related snake species, has been demonstrated for the first time, justifying the proposal of a new P-IIIe subclass of ancestral SVMP precursor-deriv
Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.50...
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Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.5053 x 10(-30) e.s.u.) and second hyper-polarizabilities (7.6833 x 10(-36) e.s.u.) of the title compound. The Multiwfn package is used to find the weak non-covalent interaction (Van der Wall interaction) and strong repulsion (steric effect) of the molecule and examined by reduced density gradient. The molecular electrostatic potential (MEP) analysis used to find the most reactive sites for the electrophilic and nucleophilic attack. The chemical activity (electronegativity, hardness, chemical softness and chemical potential) of the title compound was predicted with the help of HOMO-LUMO energy values. The natural bond orbital (NBO) has been analyzed the stability of the molecule arising from the hyper-conjugative interaction. DSSCs were discussed in structural modifications that improve the electron injection efficiency of the title compound (MPA). The Fukui functions are calculated in order to get information associated with the local reactivity properties of the title compound. The binding sites of the two receptors were reported by molecular docking field and active site bond distance is same 1.9 angstrom. The inhibitor of the title compound forms a stable complex with 1QYV and 2H1K proteins at the binding energies are -5.38 and -5.85 (Delta G in kcal/mol). (C) 2017 Elsevier B.V. All rights reserved.
作者：
V YarnykhVascular Imaging Lab
Department of Radiology University of Washington Seattle WA USA Neurobiology Lab
Research Institute of Biology and Biophysics Tomsk State University Tomsk Russian Federation
The term magnetization transfer (MT) describes a group of molecular processes causing incoherent exchange of magnetic energy between water and macromolecules in biological objects. Magnetic resonance imaging (MRI) can...
The term magnetization transfer (MT) describes a group of molecular processes causing incoherent exchange of magnetic energy between water and macromolecules in biological objects. Magnetic resonance imaging (MRI) can be sensitized to the MT effect using various magnetization preparation techniques. Since its introduction in early 90s, MT MRI has been used in various applications as a tool for quantitative or semi-quantitative tissue characterization and modification of tissue contrast. This review article provides an overview of biophysical mechanisms of MT in tissues, in-depth mathematical consideration of the widely used two-pool model of MT, and a summary of experimental methods used to study MT phenomena.
Protein succinylation is a biochemical reaction in which a succinyl group(-CO-CH2-CH2-CO-)is attached to the lysine residue of a protein *** succinylation plays important regulatory roles in living ***,studies in this...
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Protein succinylation is a biochemical reaction in which a succinyl group(-CO-CH2-CH2-CO-)is attached to the lysine residue of a protein *** succinylation plays important regulatory roles in living ***,studies in this field are limited by the difficulty in experimentally identifying the substrate site specificity of lysine *** facilitate this process,several tools have been proposed for the computational identification of succinylated lysine *** this study,we developed an approach to investigate the substrate specificity of lysine succinylated sites based on amino acid *** experimentally verified lysine succinylated sites collected from public resources,the significant differences in position-specific amino acid composition between succinylated and non-succinylated sites were represented using the Two Sample Logo *** findings enabled the adoption of an effective machine learning method,support vector machine,to train a predictive model with not only the amino acid composition,but also the composition of k-spaced amino acid *** the selection of the best model using a ten-fold crossvalidation approach,the selected model significantly outperformed existing tools based on an independent dataset manually extracted from published research ***,the selected model was used to develop a web-based tool,SuccSite,to aid the study of protein *** proteins were used as case studies on the website to demonstrate the effective prediction of succinylation *** will regularly update SuccSite by integrating more experimental *** is freely accessible at http://***/SuccSite/.
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