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https://www.readbyqxmd.com/read/29150749/study-on-the-interaction-of-paeoniflorin-with-human-serum-albumin-hsa-by-spectroscopic-and-molecular-docking-techniques
#1
Liang Xu, Yan-Xi Hu, Yan-Cheng Li, Yu-Feng Liu, Li Zhang, Hai-Xin Ai, Hong-Sheng Liu
The interaction of paeoniflorin with human serum albumin (HSA) was investigated using fluorescence, UV-vis absorption, circular dichroism (CD) spectra and molecular docking techniques under simulative physiological conditions. The results clarified that the fluorescence quenching of HSA by paeoniflorin was a static quenching process and energy transfer as a result of a newly formed complex (1:1). Paeoniflorin spontaneously bound to HSA in site I (subdomain IIA), which was primarily driven by hydrophobic forces and hydrogen bonds (ΔH° = - 9...
November 17, 2017: Chemistry Central Journal
https://www.readbyqxmd.com/read/29149720/a-robust-strategy-for-preparation-of-sequential-stimuli-responsive-block-copolymer-prodrugs-via-thiolactone-chemistry-to-overcome-multiple-anticancer-drug-delivery-barriers
#2
Wendong Ke, Wei Yin, Zengshi Zha, Jean Felix Mukerabigwi, Weijian Chen, Yuheng Wang, Chuanxin He, Zhishen Ge
Block copolymer prodrugs (BCPs) have attracted considerable attentions in clinical translation of nanomedicine owing to their self-assembly into well-defined core-shell nanoparticles for improved pharmacokinetics, stability in blood circulation without drug leakage, and optimized biodistribution. However, a cascade of physiological barriers against specific delivery of drugs into tumor cells limit the final therapeutic efficacy. Herein, we report a robust and facile strategy based on thiolactone chemistry to fabricate well-defined BCPs with sequential tumor pH-promoted cellular internalization and intracellular stimuli-responsive drug release...
November 9, 2017: Biomaterials
https://www.readbyqxmd.com/read/29149637/antiviral-potential-of-natural-compounds-against-influenza-virus-hemagglutinin
#3
S Kannan, P Kolandaivel
Influenza virus of different subtypes H1N1, H2N2, H3N2 and H5N1 cause many human pandemic deaths and threatening the people worldwide. The Hemagglutinin (HA) protein mediates viral attachment to host receptors act as an attractive target. The sixteen natural compounds have been chosen to target the HA protein. Molecular docking studies have been performed to find binding affinity of the compounds. Out of the sixteen, three compounds CI, CII and CIII found to posses a higher binding affinity. The molecular dynamics (MD) simulation has been performed to study the structural, dynamical properties for the nine different complexes CI, CII, CIII bound with H1, H2, H3 proteins and the results were compared...
November 4, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/29148771/an-qm-mm-study-of-the-reaction-catalyzed-by-alkyladenine-dna-glycosylase-examination-of-the-substrate-specificity-of-a-dna-repair-enzyme
#4
Stefan A P Lenz, Stacey D Wetmore
Human alkyladenine DNA glycosylase (AAG) functions as part of the base excision repair pathway to excise structurally diverse oxidized and alkylated DNA purines. Specifically, AAG uses a water molecule activated by a general base and a non-specific active site lined with aromatic residues to cleave the N-glycosidic bond. Despite broad substrate specificity, AAG does not target the natural purines (adenine (A) and guanine (G)). Using the ONIOM(QM:MM) methodology, we provide fundamental atomic level details of AAG bound to DNA-containing a neutral substrate (hypoxanthine (Hx)), a non-substrate (G), or a cationic substrate (7-methylguanine (7MeG)), and probe changes in the reaction pathway that occur when AAG targets different nucleotides...
November 17, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29148316/recognition-dynamics-of-trinuclear-copper-cluster-and-associated-histidine-residues-through-conserved-or-semi-conserved-water-molecules-in-human-ceruloplasmin-the-involvement-of-aspartic-and-glutamic-acid-gates
#5
Bishnu Prasad Mukhopadhyay
Human Ceruloplasmin belongs to the family of multi-copper oxidases and it is involved in different physiological processes, copper ion transport, iron metabolism, iron homeostasis, and biogenic amine metabolism. MD-simulation studies have indicated the higher hydrophilic susceptibility of the trinuclear copper cluster in native CP compared to its oxygen bound form. The copper (T2/T3) atom Cu3047 of the cluster, which is close to T1 copper center Cu3052 (~13 Å) has a higher affinity for water molecules compared to other copper centers...
November 17, 2017: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/29147992/monitoring-the-osseointegration-process-in-porous-ti6al4v-implants-produced-by-additive-manufacturing-an-experimental-study-in-sheep
#6
Mehmet C Kayacan, Yakup B Baykal, Tamer Karaaslan, Koray Özsoy, İlker Alaca, Burhan Duman, Yunus E Delikanlı
BACKGROUND: This study investigated the design and osseointegration process of transitive porous implants that can be used in humans and all trabecular and compact bone structure animals. The aim was to find a way of forming a strong and durable tissue bond on the bone-implant interface. METHODS: Massive and transitive porous implants were produced on a direct metal laser sintering machine, surgically implanted into the skulls of sheep and kept in place for 12 weeks...
November 13, 2017: Journal of Applied Biomaterials & Functional Materials
https://www.readbyqxmd.com/read/29146325/study-of-human-salivary-proline-rich-proteins-interaction-with-food-tannins
#7
Susana Soares, Ignacio García-Estévez, Raúl Ferrer-Galego, Natércia F Brás, Elsa Brandão, Mafalda Silva, Natércia Teixeira, Fátima Fonseca, Sérgio F Sousa, Frederico Ferreira-da-Silva, Nuno Mateus, Victor de Freitas
In this work, saturation transfer difference-NMR, isothermal microcalorimetry and molecular dynamics simulations have been used to study the individual interactions between basic, glycosylated and acidic proline-rich proteins (bPRPS, gPRPs, aPRPs) and P-B peptide with some representative food tannins [procyanidin B2, procyanidin B2 3'-O-gallate (B2g) and procyanidin trimer (catechin-4-8-catechin-4-8-catechin)]. Results showed that P-B peptide was in general the salivary protein (SP) with higher affinity whereas aPRPs showed lower affinity to the studied procyanidins...
March 15, 2018: Food Chemistry
https://www.readbyqxmd.com/read/29146046/influence-of-different-smear-layers-on-bond-durability-of-self-etch-adhesives
#8
Toshiki Takamizawa, Wayne W Barkmeier, Keiichi Sai, Akimasa Tsujimoto, Arisa Imai, Robert L Erickson, Mark A Latta, Masashi Miyazaki
OBJECTIVE: The purpose of this study was to determine the influence of different smear layers on enamel and dentin bond durability of various types of self-etch adhesives. METHODS: Two universal adhesives, Scotchbond Universal (SU) and Prime & Bond elect (PE); a conventional single-step self-etch adhesive, G-ænial Bond (GB); and two two-step self-etch adhesives, Optibond XTR (OX) and Clearfil SE Bond (SE) were used in this study. Shear bond strengths (SBS) and shear fatigue strengths (SFS) to human enamel and dentin were determined with different smear layer conditions...
November 13, 2017: Dental Materials: Official Publication of the Academy of Dental Materials
https://www.readbyqxmd.com/read/29144748/chemical-modification-for-proteolytic-stabilization-of-the-selective-%C3%AE-v%C3%AE-3-integrin-rgdechi-peptide-in-vitro-and-in-vivo-activities-on-malignant-melanoma-cells
#9
Daniela Comegna, Antonella Zannetti, Annarita Del Gatto, Ivan de Paola, Luigi Russo, Sonia Di Gaetano, Annamaria Liguoro, Domenica Capasso, Michele Saviano, Laura Zaccaro
Herein we report the synthesis and biological characterization of the novel peptide ψRGDechi as the first step towards novel targeted theranostics in melanoma. This pseudo-peptide is designed from our previously reported RGDechi peptide, known to bind selectively αvβ3 integrin, and differs for a modified amide bond at the main protease cleavage site. This chemical modification drastically reduces the enzymatic degradation in serum, compared to its parental peptide, resulting in an overall magnification of the biological activity on a highly expressing αvβ3 human metastatic melanoma cell line...
November 16, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29142437/docking-based-screening-of-ficus-religiosa-phytochemicals-as-inhibitors-of-human-histamine-h2-receptor
#10
Amit Chaudhary, Birendra Singh Yadav, Swati Singh, Pramod Kumar Maurya, Alok Mishra, Shweta Srivastva, Pritish Kumar Varadwaj, Nand Kumar Singh, Ashutosh Mani
Background: Ficus religiosa L. is generally known as Peepal and belongs to family Moraceae. The tree is a source of many compounds having high medicinal value. In gastrointestinal tract, histamine H2 receptors have key role in histamine-stimulated gastric acid secretion. Their over stimulation causes its excessive production which is responsible for gastric ulcer. Objective: This study aims to screen the range of phytochemicals present in F. religiosa for binding with human histamine H2 and identify therapeutics for a gastric ulcer from the plant...
October 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/29140409/ebolavirus-interferon-antagonists-protein-interaction-perspectives-to-combat-pathogenesis
#11
Anupam Banerjee, Abantika Pal, Debnath Pal, Pralay Mitra
Zaire ebolavirus, one of the most pathogenic species of Ebolavirus, is a significant threat to the human community being both highly infectious and lethal. The viral proteins (VPs), specifically VP24 and VP35, antagonize the interferon (IFN) proteins accountable for human immune response. Several efforts have been made to design vaccines and therapeutics drugs. However, the success is not encouraging because of limited knowledge about the binding site information of the VPs. Such limitations stem largely from the highly infectious nature of the virus that requires specialized personnel and biosafety laboratories...
November 13, 2017: Briefings in Functional Genomics
https://www.readbyqxmd.com/read/29140262/influence-of-professional-affiliation-on-expert-s-view-on-welfare-measures
#12
Nina Dam Otten, Tine Rousing, Björn Forkman
The present study seeks to investigate the influence of expert affiliation in the weighing procedures within animal welfare assessments. Experts are often gathered with different backgrounds with differing approaches to animal welfare posing a potential pitfall if affiliation groups are not balanced in numbers of experts. At two time points (2012 and 2016), dairy cattle and swine experts from four different stakeholder groups, namely researchers (RES), production advisors (CONS), practicing veterinarians (VET) and animal welfare control officers (AWC) were asked to weigh eight different welfare criteria: Hunger, Thirst, Resting comfort, Ease of movement, Injuries, Disease, Human-animal bond and Emotional state...
November 15, 2017: Animals: An Open Access Journal From MDPI
https://www.readbyqxmd.com/read/29139171/structural-insights-into-a-thermostable-variant-of-human-carbonic-anhydrase-ii
#13
Kelsey M Kean, Joseph J Porter, Ryan A Mehl, P Andrew Karplus
Carbonic anhydrase is an enzyme of interest for many biotechnological developments including carbon sequestration. These applications often require harsh conditions, so there is a need for the development of thermostable variants. One of the most thermostable human carbonic anhydrase II variants (HCAIIts) was patented in 2006. Here, we report the ultra-high resolution crystal structure of HCAIIts. The structural changes seen are consistent with each of the six mutations involved acting largely independently and variously resulting in increased H-bonding, improved packing, and reduced side chain entropy loss upon folding to yield the increased stability...
November 15, 2017: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/29138259/spectroscopic-and-calorimetric-characterization-of-spermine-oxidase-and-its-association-forms
#14
Alessia Leonetti, Laura Cervoni, Fabio Polticelli, Yuta Kanamori, Zuleyha Nihan Yurtsever, Enzo Agostinelli, Paolo Mariottini, Pasquale Stano, Manuela Cervelli
Spermine oxidase (SMOX) is a flavin-containing enzyme that oxidizes spermine to produce spermidine, 3-aminopropanaldehyde and hydrogen peroxide. SMOX has been shown to play key roles in inflammation and carcinogenesis; indeed it is differentially expressed in several human cancer types. Our previous investigation has revealed that SMOX purified after heterologous expression in Escherichia coli actually consists of monomers, covalent homodimers, and other higher-order forms. All association forms oxidise spermine and, after treatment with DTT, revert to SMOX monomer...
November 14, 2017: Biochemical Journal
https://www.readbyqxmd.com/read/29138086/eugenol-derivatives-prospectively-inhibit-l-asparaginase-a-heady-target-protein-of%C3%A2-salmonella-typhimurium
#15
Archana Vimal, Anubhuti Jha, Awanish Kumar
Salmonella typhimurium is the causative agent of severe human infections and mortality throughout the world. Pacing advent of new resistance mechanisms in this microorganism exists, rendering treatment of infectious disease difficult. Ciprofloxacin is no longer considered the first choice of antimicrobial agent due to the emergence of resistance. Therefore, the need for scenario is to find out novel drug target and its potential inhibitor to fight against this pathogen. The present study was undertaken to find out a novel drug target and its inhibitor for improving the current therapeutic methods for treating Salmonella infections...
November 11, 2017: Microbial Pathogenesis
https://www.readbyqxmd.com/read/29137457/monoclonal-antibody-that-recognizes-diethoxyphospho-tyrosine-modified-proteins-and-peptides-independent-of-surrounding-amino-acids
#16
Seda Onder, Alicia J Dafferner, Lawrence M Schopfer, Gaoping Xiao, Udaya Yerramalla, Ozden Tacal, Thomas A Blake, Rudolph C Johnson, Oksana Lockridge
Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are irreversibly inhibited by organophosphorus pesticides through formation of a covalent bond with the active site serine. Proteins that have no active site serine, for example albumin, are covalently modified on tyrosine and lysine. Chronic illness from pesticide exposure is not explained by inhibition of AChE and BChE. Our goal was to produce a monoclonal antibody that recognizes proteins diethoxyphosphorylated on tyrosine. Diethoxyphosphate-tyrosine adducts for 13 peptides were synthesized...
November 14, 2017: Chemical Research in Toxicology
https://www.readbyqxmd.com/read/29136904/a-light-up-fluorescent-probe-for-citrate-detection-based-on-bispyridinum-amides-with-aggregation-induced-emission-feature
#17
Chenchen Liu, Yandi Hang, Tao Jiang, Ji Yang, Xiao Zhang, Jianli Hua
Citrate is an important intermediate in the citric acid cycle, a vital metabolic pathway for animals, plants and bacteria. It is of great significance to detect its levels in human beings because several diseases may cause the abnormal of citrate. In this paper, a new turn-on fluorescent sensor (TPE-Py) using the classic tetraphenylethylene (TPE) as the aggregation-induced emission (AIE) fluorophore and bipyridinium-based amides as the recognition receptor has been synthesized for the detection of citrate. The probe exhibits good selectivity and sensitivity to citrate with a relatively low detection limit (1...
February 1, 2018: Talanta
https://www.readbyqxmd.com/read/29136788/red-emitting-bsa-stabilized-copper-nanoclusters-acted-as-a-sensitive-probe-for-fluorescence-sensing-and-visual-imaging-detection-of-rutin
#18
Benqian Wang, Rijun Gui, Hui Jin, Weijie He, Zonghua Wang
In this article, red-emitting copper nanoclusters (Cu NCs) were prepared in the matrix of bovine serum albumin (BSA) through using N2H4·H2O as a reducing agent and BSA as a stabilizer. In the aqueous suspension of BSA-Cu NCs, the addition of rutin enabled the combination of rutin with BSA around Cu NCs via hydrogen bond and electrostatic interactions between functional groups of BSA and rutin. The approaching of rutin to Cu NCs induced that the fluorescence (FL) of Cu NCs was quenched by rutin due to the electron transfer from Cu NCs to rutin...
February 1, 2018: Talanta
https://www.readbyqxmd.com/read/29136403/high-grade-cervical-intraepithelial-neoplasia-in-human-papillomavirus-self-sampling-of-screening-non-attenders
#19
J U H Lam, K M Elfström, D M Ejegod, H Pedersen, C Rygaard, M Rebolj, E Lynge, K E Juul, S K Kjær, J Dillner, J Bonde
BACKGROUND: Self-sampling for human papillomavirus (HPV) offered to women who do not participate in cervical cancer screening is an increasingly popular method to increase screening coverage. The rationale behind self-sampling is that unscreened women harbour a high proportion of undetected precancer lesions. Here, we compare the cervical intraepithelial neoplasia grade 2 or worse (⩾CIN2) detection rate between non-attenders who participated in self-sampling and women attending routine screening...
November 14, 2017: British Journal of Cancer
https://www.readbyqxmd.com/read/29135439/biological-cleavage-of-the-c-p-bond-in-perfluoroalkyl-phosphinic-acids-in-male-sprague-dawley-rats-and-the-formation-of-persistent-and-reactive-metabolites
#20
Shira Joudan, Leo W Y Yeung, Scott A Mabury
BACKGROUND: Perfluoroalkyl phosphinic acids (PFPiAs) have been detected in humans, wildlife, and various environmental matrices. These compounds have been used with perfluoroalkyl phosphonic acids (PFPAs) as surfactants in consumer products and as nonfoaming additives in pesticide formulations. Unlike the structurally related perfluoroalkyl sulfonic and carboxylic acids, little is known about the biological fate of PFPiAs. OBJECTIVES: We determined the biotransformation products of PFPiAs and some pharmacokinetic parameters in a rat model...
November 3, 2017: Environmental Health Perspectives
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