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https://www.readbyqxmd.com/read/29779042/combining-theoretical-and-experimental-data-to-decipher-cftr-3d-structures-and-functions
#1
Brice Hoffmann, Ahmad Elbahnsi, Pierre Lehn, Jean-Luc Décout, Fabio Pietrucci, Jean-Paul Mornon, Isabelle Callebaut
Cryo-electron microscopy (cryo-EM) has recently provided invaluable experimental data about the full-length cystic fibrosis transmembrane conductance regulator (CFTR) 3D structure. However, this experimental information deals with inactive states of the channel, either in an apo, quiescent conformation, in which nucleotide-binding domains (NBDs) are widely separated or in an ATP-bound, yet closed conformation. Here, we show that 3D structure models of the open and closed forms of the channel, now further supported by metadynamics simulations and by comparison with the cryo-EM data, could be used to gain some insights into critical features of the conformational transition toward active CFTR forms...
May 19, 2018: Cellular and Molecular Life Sciences: CMLS
https://www.readbyqxmd.com/read/29778903/orcokinins-regulate-the-expression-of-neuropeptide-precursor-genes-related-to-ecdysis-in-the-hemimetabolous-insect-rhodnius-prolixus
#2
Juan Pedro Wulff, Natalia Capriotti, Sheila Ons
Ecdysis is a vital process for insects, during which they shed the old cuticle in order to emerge as the following developmental stage. Given its relevance for survival and reproduction, ecdysis is tightly regulated by peptidic hormones that conform an interrelated neuromodulatory network. This network was studied in species that undergo a complete metamorphosis, but not in hemimetabola. In a recent work, we demonstrated that orcokinin neuropeptides are essential for ecdysis to occur in the kissing bug Rhodnius prolixus...
May 17, 2018: Journal of Insect Physiology
https://www.readbyqxmd.com/read/29778879/preferential-binding-to-zinc-oxide-nanoparticle-interface-inhibits-lysozyme-fibrillation-and-cytotoxicity
#3
Kanti K Yadav, Manoranjan Arakha, Basudeb Das, Bibekanand Mallick, Suman Jha
The aim of present investigation is to explore the effect of zinc oxide nanoparticles (ZnONP, 30 nm) interface on conformational dynamics and stability of lysozyme, at pH 7.4 and pH 9.0. Lysozyme adopts partially disordered conformation at pH 9.0, which adopts fibril morphology in presence of sodium dodecyl sulfate (SDS), compared to the conformation adopted at pH 7.4. However, the presence of ZnONP interface renders partially disordered lysozyme relatively regular and non-amyloidogenic conformation, and enhances the functional efficacy of lysozyme at pH 9...
May 17, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29778781/fullerenol-c-60-oh-36-protects-human-erythrocyte-membrane-against-high-energy-electrons
#4
Jacek Grebowski, Paulina Kazmierska, Grzegorz Litwinienko, Anna Lankoff, Marian Wolszczak, Anita Krokosz
Fullerenols (polyhydroxylated fullerene C60 ) are nanomaterial with potentially broad applicability in biomedical sciences with high antioxidant ability, thus, we investigated the radioprotecting potential of fullerenol C60 (OH)36 on human erythrocytes irradiated by high-energy electrons of 6 MeV. The results demonstrate that C60 (OH)36 at concentration of 150 μg/mL protects the erythrocytes against the radiation-induced hemolysis (comparing to non-protected cells, we observed 30% and 39% protection for 0...
May 17, 2018: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/29778603/interrogating-the-dimerization-interface-of-the-prion-protein-via-site-specific-mutations-to-p-benzoyl-l-phenylalanine
#5
Sudheer Babu Sangeetham, Krisztina Huszár, Petra Bencsura, Antal Nyeste, Éva Hunyadi-Gulyás, Elfrieda Fodor, Ervin Welker
Transmissible spongiform encephalopathies are centered on the conformational transition of the prion protein from a mainly helical, monomeric structure to a β-sheet rich ordered aggregate. Experiments indicate that the main infectious and toxic species in this process are however shorter oligomers, formation of which from the monomers is yet enigmatic. Here, we created 25 variants of the mouse prion protein site-specifically containing one genetically-incorporated para-benzoyl-phenylalanine (pBpa), a cross-linkable non-natural amino acid, in order to interrogate the interface of a prion protein-dimer, which might lie on the pathway of oligomerization...
May 17, 2018: Journal of Molecular Biology
https://www.readbyqxmd.com/read/29777941/characterization-of-the-binding-of-a-novel-antitumor-drug-ibrutinib-with-human-serum-albumin-insights-from-spectroscopic-calorimetric-and-docking-studies
#6
Bin Tang, Peixiao Tang, Jiawei He, Hongqin Yang, Hui Li
Ibrutinib (IBR) is a novel Bruton's tyrosine kinase inhibitor and shows good efficacy for several B-cell malignancies. In the current study, the molecular mechanism of the interaction between IBR and the transport protein human serum albumin (HSA) was ascertained by spectroscopic, calorimetric, and docking studies. Detailed investigations on affinity parameter, binding model, conformational change, and site selectivity were implemented by receptor-based and ligand-based analysis. An unusual fluorescence co-quenching (mutual quenching) was observed in the binding of IBR to HSA, followed by a static mechanism...
May 16, 2018: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/29777930/experimental-and-theoretical-study-of-fingerprint-spectra-of-2-4-fluorophenyl-benzimidazole-and-2-4-chlorophenyl-benzimidazole-in-terahertz-range
#7
Maojiang Song, Fei Yang, Liping Liu, Li Shen, Pengfei Hu, Caixia Su
Due to wide variety of biological and pharmacological activities of benzimidazole derivatives, the terahertz fingerprint spectra of 2-(4-fluorophenyl)benzimidazole and 2-(4-chlorophenyl)benzimidazole are researched by employing terahertz time-domain spectroscopy and density functional theory systematically. Although the substituent at the para position on the benzene moiety are the same family elements (F, Cl) in the periodic table, both experimental and theoretical results show that there are substantial differences in their fingerprint spectra in the range of 0...
May 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29777928/binding-studies-of-triclocarban-with-bovine-serum-albumin-insights-from-multi-spectroscopy-and-molecular-modeling-methods
#8
Jiao Guan, Xin Yan, Yajing Zhao, Yinhe Sun, Xin Peng
The antimicrobial triclocarban (TCC) is frequently found in various personal care products (PCPs), and recent studies have demonstrated that it shows a high unintended biological activity on humans and wildlife. To evaluate the toxicity of TCC at the protein level, the effect of TCC on bovine serum albumin (BSA) has been investigated using various spectroscopic methods in combination with molecular modeling. Analysis of fluorescence quenching data of BSA revealed the formation of a ground state BSA-TCC complex with a binding constant of 2...
May 9, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29777812/exploring-the-intermolecular-interactions-and-contrasting-binding-of-flufenamic-acid-with-hemoglobin-and-lysozyme-a-biophysical-and-docking-insight
#9
Sameer Shakeel Ansari, Imtiyaz Yousuf, Farukh Arjmand, Mohammad Khursheed Siddiqi, Saeeda Naqvi
The intermolecular interaction of flufenamic acid (Hfluf) with two model proteins i.e., hemoglobin and lysozyme was explored using fluorescence, UV-vis, circular dichroism, DLS, and molecular docking techniques. The corroborative spectroscopic techniques suggested efficient binding of Hfluf to both the proteins. The S-V plot in Hb-Hfluf system showed positive deviation highlighting the presence of both static and dynamic quenching. Hence, ground state complex model and sphere of action quenching model were used for the study...
May 16, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29777803/an-isolate-of-potato-virus-x-capsid-protein-from-n-benthamiana-insights-from-homology-modeling-and-molecular-dynamics-simulation
#10
Neda Esfandiari, Yahya Sefidbakht
Since Potato Virus X (PVX) is easily transmitted mechanically between their hosts, its control is difficult. We have previously reported new isolate of this virus (PVX-Iran, GenBank Accession number FJ461343). However, the molecular basis of resistance breaking activity and its relation to capsid protein structure are still not well-understood. SDS-PAGE, ELISA, Western blot and RT-PCR molecular examinations were performed on the inoculated plants Nicotiana benthamiana. The pathological symptoms were related to the PVX isolate...
May 16, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29777253/translation-inhibition-corrects-aberrant-localization-of-mutant-alanine-glyoxylate-aminotransferase-possible-therapeutic-approach-for-hyperoxaluria
#11
Ruth Belostotsky, Roman Lyakhovetsky, Michael Y Sherman, Fanny Shkedy, Shimrit Tzvi-Behr, Roi Bar, Bernd Hoppe, Björn Reusch, Bodo B Beck, Yaacov Frishberg
Primary hyperoxaluria type 1 is a severe kidney stone disease caused by abnormalities of the peroxisomal alanine-glyoxylate aminotransferase (AGT). The most frequent mutation G170R results in aberrant mitochondrial localization of the active enzyme. To evaluate the population of peroxisome-localized AGT, we developed a quantitative Glow-AGT assay based on the self-assembly split-GFP approach and used it to identify drugs that can correct mislocalization of the mutant protein. In line with previous reports, the Glow-AGT assay showed that mitochondrial transport inhibitors DECA and monensin increased peroxisomal localization of the mutant...
May 18, 2018: Journal of Molecular Medicine: Official Organ of the "Gesellschaft Deutscher Naturforscher und Ärzte"
https://www.readbyqxmd.com/read/29777138/shining-light-on-molecular-mechanism-for-odor-selectivity-of-cnt-immobilized-olfactory-receptor
#12
Liyun Zhang, Yuan Yuan, Tian Ren, Yanzhi Guo, Chuan Li, Xuemei Pu
Olfactory receptor (OR)-based bioelectronic nose is a new type of bio-affinity sensor applied for detecting numerous odorant molecules. In order to elucidate the effect of the adsorption of nanomaterial carriers on the receptor structure and its selectivity to odors, we used a systematic computation-scheme to study two OR models immobilized onto carbon nanotube. Our result indicates that there is a multistep OR-adsorption process driven by hydrophobic interaction. Many allosteric communication pathways exist between the absorbed residues and the pocket ones, leading to a significant shrinkage of the pocket...
May 18, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29776734/taking-into-consideration-explanations-of-perception-action-interactions-that-may-be-less-dramatic-but-more-reflective-of-what-happens-in-the-real-world
#13
Robert W Proctor, Aiping Xiong
Bruce Bridgeman and colleagues reported the first experiments providing evidence of two functionally distinct visual-processing systems. We summarize that work and subsequent research that resulted in modifications of this view. Then, we describe studies of stimulus-response correspondence effects that provide evidence for distinct representations of responses. More recently, Bridgeman and colleagues examined whether "action affects perception", concluding that the phenomena can be more accurately construed as "information affects memory"...
May 15, 2018: Consciousness and Cognition
https://www.readbyqxmd.com/read/29776675/risk-factors-for-near-miss-events-and-safety-incidents-in-pediatric-radiation-therapy
#14
Nimrah Baig, Jiangxia Wang, Shereef Elnahal, Todd McNutt, Jean Wright, Theodore DeWeese, Stephanie Terezakis
BACKGROUND AND PURPOSE: Factors contributing to safety- or quality-related incidents (e.g. variances) in children are unknown. We identified clinical and RT treatment variables associated with risk for variances in a pediatric cohort. MATERIALS AND METHODS: Using our institution's incident learning system, 81 patients age ≤21 years old who experienced variances were compared to 191 pediatric patients without variances. Clinical and RT treatment variables were evaluated as potential predictors for variances using univariate and multivariate analyses...
May 15, 2018: Radiotherapy and Oncology: Journal of the European Society for Therapeutic Radiology and Oncology
https://www.readbyqxmd.com/read/29776664/rhod-localization-and-function-is-dependent-on-its-gtp-gdp-bound-state-and-unique-n-terminal-motif
#15
Magdalena Blom, Katarina Reis, Pontus Aspenström
The atypical Rho GTPase RhoD has previously been shown to have a major impact on the organization and function of the actin filament system. However, when first discovered, RhoD was found to regulate endosome trafficking and dynamics and we therefore sought to investigate this regulation in more detail. We found that exogenously expressed RhoD in human fibroblasts localized to vesicles and the plasma membrane and that the active GTP-bound conformation was required for the plasma membrane localization but not for vesicle localization...
May 16, 2018: European Journal of Cell Biology
https://www.readbyqxmd.com/read/29776602/blurring-boundaries-receptor-tyrosine-kinases-as-functional-g-protein-coupled-receptors
#16
Caitrin Crudden, Takashi Shibano, Dawei Song, Naida Suleymanova, Ada Girnita, Leonard Girnita
Receptor tyrosine kinases (RTKs) such as the insulin-like growth factor type 1 receptor (IGF-1R) control important biological activities as well as being involved in pathological processes. Due to their supportive nature in many human cancers they have long been considered attractive therapeutic targets. However, lessons learnt from early targeting trials highlight that a simple "active versus inactive" state model with classical kinase-only signaling is overly simplistic and does not describe reality...
2018: International Review of Cell and Molecular Biology
https://www.readbyqxmd.com/read/29776414/glp-i-secretion-in-healthy-and-diabetic-wistar-rats-in-response-to-aqueous-extract-of-momordica-charantia
#17
Gulzar Ahmad Bhat, Haseeb A Khan, Abdullah S Alhomida, Poonam Sharma, Rambir Singh, Bilal Ahmad Paray
BACKGROUND: Diabetes mellitus is one of the major global health disorders increasing at an alarming rate in both developed and developing countries. The objective of this study was to assess the effect of aqueous extract of Momordica charantia (AEMC) on fasting blood glucose (FBG), tissue glycogen, glycosylated haemoglobin, plasma concentrations of insulin and GLP-1 hormone (glucagon-like peptide 1) in healthy and diabetic wistar rats. METHODS: Male Wistar rats (both normal and diabetic) were treated with AEMC by gavaging (300 mg/kg body wt/day for 28 days)...
May 18, 2018: BMC Complementary and Alternative Medicine
https://www.readbyqxmd.com/read/29776083/cooperativity-in-plastic-crystals
#18
Marco Pieruccini, Elpidio Tombari
A statistical mechanical model previously adopted for the analysis of the α-relaxation in structural glass formers is rederived within a general theoretical framework originally developed for systems approaching the ideal glassy state. The interplay between nonexponentiality and cooperativity is reconsidered in the light of energy landscape concepts. The method is used to estimate the cooperativity in orientationally disordered crystals, either from the analysis of literature data on linear dielectric response or from the enthalpy relaxation function obtained by temperature-modulated calorimetry...
March 2018: Physical Review. E
https://www.readbyqxmd.com/read/29775857/enzyme-free-homogeneous-electrochemical-biosensor-for-dna-assay-using-toehold-triggered-strand-displacement-reaction-coupled-with-host-guest-recognition-of-fe-3-o-4-sio-2-%C3%AE-cd-nanocomposites
#19
Jingjing Jiang, Xinyi Lin, Dong Ding, Guowang Diao
Taking advantages of the toehold-triggered strand displacement reaction (TSDR) and host-guest interaction of β-cyclodextrin (β-CD), a facile enzyme-free and homogeneous electrochemical sensing strategy was designed for the sensitive assay of target DNA using Fe3 O4 @SiO2 @β-CD nanocomposites and ferrocene-labeled hairpin DNA (H-1) as the capture and electrochemical probes, respectively. Upon addition of target molecule, the initiated TSDR process induced the conformational change of H-1, and subsequently stimulated the dynamic assembly of assist probes (A-1 and A-2) to generate H-1:A-1:A-2 duplex along with the release of target sequence...
April 17, 2018: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/29775655/confocal-raman-microspectroscopy-as-an-alternative-to-differential-scanning-calorimetry-to-detect-the-impact-of-emulsifiers-and-formulations-on-stratum-corneum-lipid-conformation
#20
Ziwei Zhang, Dominique Jasmin Lunter
The purpose of this study was to investigate the impact of emulsifiers and formulations on stratum corneum (SC) lipid conformation and evaluate confocal Raman microspectroscopy (CRM) as an alternative method to differential scanning calorimetry (DSC) in this research context. To this end, four different formulations were used: three conventional creams that contained ionic and/or non-ionic emulsifiers and one surfactants-free emulsion stabilized by a polymeric emulsifier. Additionally, all emulsifiers were tested in aqueous solutions/dispersions in the respective concentrations as present in the formulations...
May 15, 2018: European Journal of Pharmaceutical Sciences
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