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RANK ligand

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https://www.readbyqxmd.com/read/28446025/medicinal-plant-phytochemicals-and-their-inhibitory-activities-against-pancreatic-lipase-molecular-docking-combined-with-molecular-dynamics-simulation-approach
#1
Bilal Ahmed, Usman Ali Ashfaq, Muhammad Usman Mirza
Obesity is the worst health risk worldwide, which is linked to a number of diseases. Pancreatic lipase is considered as an affective cause of obesity and can be a major target for controlling the obesity. The present study was designed to find out best phytochemicals against pancreatic lipase through molecular docking combined with molecular dynamics (MD) simulation. For this purpose, a total of 3770 phytochemicals were docked against pancreatic lipase and ranked them on the basis of binding affinity. Finally, 10 molecules (Kushenol K, Rosmarinic acid, Reserpic acid, Munjistin, Leachianone G, Cephamycin C, Arctigenin, 3-O-acetylpadmatin, Geniposide and Obtusin) were selected that showed strong bonding with the pancreatic lipase...
April 26, 2017: Natural Product Research
https://www.readbyqxmd.com/read/28431214/interferon-%C3%AE-released-by-activated-cd8-t-lymphocytes-impairs-the-calcium-resorption-potential-of-osteoclasts-in-calcified-human-aortic-valves
#2
Edit Nagy, Yang Lei, Eduardo Martínez-Martínez, Simon C Body, Florian Schlotter, Michael Creager, Alexander Assmann, Kamal Khabbaz, Peter Libby, Göran K Hansson, Elena Aikawa
Calcium content in patients with calcific aortic valve disease (CAVD) correlates with the severity of stenosis. In CAVD, activated T lymphocytes localize with osteoclast regions; however, the functional consequences of this association remain unknown. We hypothesized that CD8(+) T cells modulate calcification in CAVD. Explanted CAVD valves (n = 52) dissected into noncalcified and calcified portions were subjected to mRNA extraction, real-time quantitative PCR, enzyme-linked immunosorbent assay, and immunohistochemical analyses...
April 18, 2017: American Journal of Pathology
https://www.readbyqxmd.com/read/28417335/poor-prognosis-of-patients-with-triple-negative-breast-cancer-can-be-stratified-by-rank-and-rankl-dual-expression
#3
Monica E Reyes, Takeo Fujii, Daniel Branstetter, Savitri Krishnamurthy, Hiroko Masuda, Xiaoping Wang, James M Reuben, Wendy A Woodward, Beatrice J Edwards, Gabriel N Hortobagyi, Debu Tripathy, William C Dougall, Bedrich L Eckhardt, Naoto T Ueno
PURPOSE: As clinical studies have correlated RANK expression levels with survival in breast cancer, and that RANK signaling is dependent on its cognate ligand RANKL, we hypothesized that dual protein expression further stratifies the poor outcome in TNBC. METHODS: RANK mRNA and protein expression was evaluated in TNBC using genomic databases, cell lines and in a tissue microarray of curated primary tumor samples derived from 87 patients with TNBC. RANK expression was evaluated either by Mann-Whitney U test on log-normalized gene expression data or by Student's t test on FACS data...
April 17, 2017: Breast Cancer Research and Treatment
https://www.readbyqxmd.com/read/28416991/can-denosumab-be-a-substitute-competitor-or-complement-to-bisphosphonates
#4
REVIEW
Su Young Kim, Hwoe Gyeong Ok, Christof Birkenmaier, Kyung Hoon Kim
Osteoblasts, originating from mesenchymal cells, make the receptor activator of the nuclear factor kappa B ligand (RANKL) and osteoprotegerin (OPG) in order to control differentiation of activated osteoclasts, originating from hematopoietic stem cells. When the RANKL binds to the RANK of the pre-osteoclasts or mature osteoclasts, bone resorption increases. On the contrary, when OPG binds to the RANK, bone resorption decreases. Denosumab (AMG 162), like OPG (a decoy receptor), binds to the RANKL, and reduces binding between the RANK and the RANKL resulting in inhibition of osteoclastogenesis and reduction of bone resorption...
April 2017: Korean Journal of Pain
https://www.readbyqxmd.com/read/28415695/detection-of-copb2-as-a-kras-synthetic-lethal-partner-through-integration-of-functional-genomics-screens
#5
Eleni G Christodoulou, Hai Yang, Franziska Lademann, Christian Pilarsky, Andreas Beyer, Michael Schroeder
Mutated KRAS plays an important role in many cancers. Although targeting KRAS directly is difficult, indirect inactivation via synthetic lethal partners (SLPs) is promising. Yet to date, there are no SLPs from high-throughput RNAi screening, which are supported by multiple screens. Here, we address this problem by aggregating and ranking data over three independent high-throughput screens. We integrate rankings by minimizing the displacement and by considering established methods such as RIGER and RSA.Our meta analysis reveals COPB2 as a potential SLP of KRAS with good support from all three screens...
March 10, 2017: Oncotarget
https://www.readbyqxmd.com/read/28414923/determining-the-true-selectivity-profile-of-%C3%AE-v-integrin-ligands-using-radioligand-binding-applying-an-old-solution-to-a-new-problem
#6
James E Rowedder, Steve B Ludbrook, Robert J Slack
The arginyl-glycinyl-aspartic acid (RGD) integrin subfamily contains five members that partner with the αv subunit: αvβ1, αvβ3, αvβ5, αvβ6, and αvβ8. Within the αv integrins, the epithelially restricted αvβ6 has been identified as playing a key role in the activation of transforming growth factor β that is hypothesized to be pivotal in the development of idiopathic pulmonary fibrosis (IPF). As part of a drug discovery program to identify a selective αvβ6 RGD mimetic for IPF, cell adhesion and radioligand binding assays were investigated to screen compounds to determine affinity and αv integrin selectivity...
April 1, 2017: SLAS Discovery
https://www.readbyqxmd.com/read/28403071/the-expression-and-clinical-relevance-of-pd-1-pd-l1-and-tp63-in-patients-with-diffuse-large-b-cell-lymphoma
#7
Xia Fang, Bing Xiu, Zhizhang Yang, Weizhe Qiu, Long Zhang, Suxia Zhang, Yunjin Wu, Xuyou Zhu, Xue Chen, Suhong Xie, Xianghua Yi, Aibin Liang, Yu Zeng
Latest study showed that a novel translocation between programmed cell death ligand 1 (PD-L1) (cluster of differentiation 274) and TP63 (tumor protein 63) can be found in diffuse large B-cell lymphoma (DLBCL), resulting in their conjunct overexpression in tumor cells at RNA level. However, the expressed pattern of these 2 genes at protein level in DLBCL remains largely unknown, and the clinical relevance of PD-L1 and TP63 expression in DLBCL are also unclear.Tumor tissues from 76 Chinese DLBCL patients were immunostained for programmed cell death 1 (PD-1), PD-L1, and TP63 using the EnVision system...
April 2017: Medicine (Baltimore)
https://www.readbyqxmd.com/read/28402971/implicating-receptor-activator-of-nf-%C3%AE%C2%BAb-rank-rank-ligand-signalling-in-microglial-responses-to-toll-like-receptor-stimuli
#8
Anton Kichev, Pascale Eede, Pierre Gressens, Claire Thornton, Henrik Hagberg
Inflammation in the perinatal brain caused by maternal or intrauterine fetal infection is now well established as an important contributor to the development of perinatal brain injury. Exposure to inflammatory products can impair perinatal brain development and act as a risk factor for neurological dysfunction, cognitive disorders, cerebral palsy, or preterm birth. Pre-exposure to inflammation significantly exacerbates brain injury caused by hypoxic/ischaemic insult. Tumour necrosis factor (TNF) is a family of cytokines largely involved in inflammation signalling...
April 13, 2017: Developmental Neuroscience
https://www.readbyqxmd.com/read/28396950/giant-cell-tumor-of-the-thoracic-spine-completely-removed-by-total-spondylectomy-after-neoadjuvant-denosumab-therapy
#9
Noritaka Yonezawa, Hideki Murakami, Satoshi Kato, Akihiko Takeuchi, Hiroyuki Tsuchiya
PURPOSE: Denosumab, a novel monoclonal antibody that targets the receptor activator of nuclear factor-κB (RANK) ligand (RANKL), has recently been used to treat patients with giant cell tumor of bone (GCTB). However, few reports have described the clinical results of denosumab therapy for spinal GCTB and evaluated treatment efficacy with respect to the entirety of the resected vertebra after denosumab therapy. METHODS: We present the case of a 51-year-old man with T12 GCTB that was completely removed by a total spondylectomy following 10 courses of neoadjuvant denosumab therapy...
April 10, 2017: European Spine Journal
https://www.readbyqxmd.com/read/28388533/brca1-haploinsufficiency-cell-autonomously-activates-rankl-expression-and-generates-denosumab-responsive-breast-cancer-initiating-cells
#10
Elisabet Cuyàs, Bruna Corominas-Faja, María Muñoz-San Martín, Begoña Martin-Castillo, Ruth Lupu, Joan Brunet, Joaquim Bosch-Barrera, Javier A Menendez
Denosumab, a monoclonal antibody to the receptor activator of nuclear factor-κB ligand (RANKL), might be a novel preventative therapy for BRCA1-mutation carriers at high risk of developing breast cancer. Beyond its well-recognized bone-targeted activity impeding osteoclastogenesis, denosumab has been proposed to interfere with the cross-talk between RANKL-producing sensor cells and cancer-initiating RANK+ responder cells that reside within premalignant tissues of BRCA1-mutation carriers. We herein tested the alternative but not mutually exclusive hypothesis that BRCA1 deficiency might cell-autonomously activate RANKL expression to generate cellular states with cancer stem cell (CSC)-like properties...
March 25, 2017: Oncotarget
https://www.readbyqxmd.com/read/28388068/the-effect-of-imidazole-arrangements-on-proton-conductivity-in-metal-organic-frameworks
#11
Feng-Ming Zhang, Long-Zhang Dong, Jun-Sheng Qin, Wei Guan, Jiang Liu, Shun-Li Li, Meng Lu, Ya-Qian Lan, Zhong-Min Su, Hong-Cai Zhou
Imidazole molecules were frequently incorporated into porous materials to improve their proton conductivity. To investigate how different arrangements of imidazoles in Metal-Organic Frameworks (MOFs) affect the overall proton conduction, we designed and prepared a MOF-based model system. It includes an Fe-MOF as the blank, an imidazole@Fe-MOF (Im@Fe-MOF) with physically adsorbed imidazole, and an imidazole-Fe-MOF (Im-Fe-MOF), which contains chemically coordinated imidazole mol-ecules. The parent Fe-MOF, synthesized from the exchange of carboxylates in the pre-formed [Fe3(μ3-O)](carboxylate)6 clusters and multi-topic carboxylate ligands, serves as a control...
April 7, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28369058/mapping-of-79-loci-for-83-plasma-protein-biomarkers-in-cardiovascular-disease
#12
Lasse Folkersen, Eric Fauman, Maria Sabater-Lleal, Rona J Strawbridge, Mattias Frånberg, Bengt Sennblad, Damiano Baldassarre, Fabrizio Veglia, Steve E Humphries, Rainer Rauramaa, Ulf de Faire, Andries J Smit, Philippe Giral, Sudhir Kurl, Elmo Mannarino, Stefan Enroth, Åsa Johansson, Sofia Bosdotter Enroth, Stefan Gustafsson, Lars Lind, Cecilia Lindgren, Andrew P Morris, Vilmantas Giedraitis, Angela Silveira, Anders Franco-Cereceda, Elena Tremoli, Ulf Gyllensten, Erik Ingelsson, Søren Brunak, Per Eriksson, Daniel Ziemek, Anders Hamsten, Anders Mälarstig
Recent advances in highly multiplexed immunoassays have allowed systematic large-scale measurement of hundreds of plasma proteins in large cohort studies. In combination with genotyping, such studies offer the prospect to 1) identify mechanisms involved with regulation of protein expression in plasma, and 2) determine whether the plasma proteins are likely to be causally implicated in disease. We report here the results of genome-wide association (GWA) studies of 83 proteins considered relevant to cardiovascular disease (CVD), measured in 3,394 individuals with multiple CVD risk factors...
April 2017: PLoS Genetics
https://www.readbyqxmd.com/read/28368587/protein-ligand-scoring-with-convolutional-neural-networks
#13
Matthew Ragoza, Joshua Hochuli, Elisa Idrobo, Jocelyn Sunseri, David Ryan Koes
Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict binding affinities and poses. The ever-expanding amount of protein-ligand binding and structural data enables the use of deep machine learning techniques for protein-ligand scoring. We describe convolutional neural network (CNN) scoring functions that take as input a comprehensive three-dimensional (3D) representation of a protein-ligand interaction...
April 24, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28368432/effect-of-electrostatic-polarization-and-bridging-water-on-cdk2-ligand-binding-affinities-calculated-using-a-highly-efficient-interaction-entropy-method
#14
Lili Duan, Guoqiang Feng, Xianwei Wang, Lizhi Wang, Qinggang Zhang
A new highly efficient interaction entropy (IE) method combined with the polarized protein-specific charge (PPC) force field is employed to investigate the interaction mechanism of CDK2-ligand binding and the effect of the bridging water. Our result shows that the computed binding free energies for five CDK2-ligand complexes using the IE method have a significantly linear correlation with the experimentally measured values with a correlation coefficient of 0.98 in consideration of the bridging water under the PPC force field...
April 12, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28362281/the-evaluation-of-qm-mm-driven-molecular-docking-combined-with-mm-gbsa-calculations-as-a-halogen-bond-scoring-strategy
#15
Rafał Kurczab
The combination of quantum mechanics/molecular mechanics-driven (QM/MM) molecular docking with binding free-energy calculations was successfully used to reproduce the X-ray geometries of protein-ligand complexes with halogen bonding. The procedure involves quantum-polarized ligand docking (QPLD) to obtain the QM-derived ligand atomic charges in the protein environment at the B3PW91/cc-pVTZ level and the MM/GBSA (generalized-Born/surface area) algorithm to calculate the binding free energies of resultant complexes...
April 1, 2017: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
https://www.readbyqxmd.com/read/28357111/typing-of-killer-cell-immunoglobulin-like-receptors-and-their-cognate-human-leukocyte-antigen-class-i-ligands-predicts-survival-of-chinese-han-patients-with-metastatic-non-small-cell-lung-cancer
#16
Hui Yu, Fang Liu, Benoit Sansas, Bin Kang, Xavier Preville, Xianghua Wu, Jianhua Chang, Romain Micol, Jialei Wang, Xia Meng
Non-small-cell lung cancer (NSCLC) may establish an immunosuppressive tumor microenvironment that is conducive to tumor growth. Natural killer (NK) cells play a pivotal role in immunological surveillance. Activation of NK cells partially depends on the interactions between killer-cell immunoglobulin-like receptors (KIRs) and human leukocyte antigen (HLA) class I ligands. We herein investigated the association of KIRs and HLA ligands with survival in metastatic NSCLC (mNSCLC) patients treated with chemotherapy in a Chinese Han population...
February 2017: Molecular and Clinical Oncology
https://www.readbyqxmd.com/read/28350111/melittin-inhibits-osteoclast-formation-through-the-downregulation-of-the-rankl-rank-signaling-pathway-and-the-inhibition-of-interleukin-1%C3%AE-in-murine-macrophages
#17
Jung-Yoon Choe, Seong-Kyu Kim
Melittin is a major toxic component of bee venom (Apis mellifera). It is not known whether melittin is involved in bone metabolism and osteoclastogenesis. The aim of this study was to determine the role of melittin in the regulation of osteoclastogenesis. In vitro osteoclastogenesis assays were performed using mouse RAW 264.7 cells and bone marrow-derived macrophages (BMMs) treated with receptor activator of nuclear factor-κB ligand (RANKL) and macrophage colony-stimulating factor (M-CSF). Morphologic and functional analyses for osteoclast-like multinucleated cells (MNCs) were performed by tartrate-resistant acid phosphatase (TRAP) staining, F-actin staining and pit formation methods...
February 3, 2017: International Journal of Molecular Medicine
https://www.readbyqxmd.com/read/28346107/a-high-throughput-method-for-measuring-drug-residence-time-using-the-transcreener-adp-assay
#18
Meera Kumar, Robert G Lowery
Analysis of drug-target residence times during drug development can result in improved efficacy, increased therapeutic window, and reduced side effects. Residence time can be estimated as the reciprocal of the dissociation rate ( koff) of an inhibitor from its target. The traditional methods for measuring koff require synthesis of labeled ligands or low-throughput label-free methods. To provide an alternative that is better suited to an automated high-throughput screening (HTS) environment, we adapted a classic "jump dilution" catalytic assay method for determination of koff values for kinase inhibitor drugs...
February 1, 2017: SLAS Discovery
https://www.readbyqxmd.com/read/28343338/expression-of-typical-osteoclast-markers-by-pbmcs-after-peg-induced-fusion-as-a-model-for-studying-osteoclast-differentiation
#19
Luz M Castillo, Carlos A Guerrero, Orlando Acosta
Bone is a metabolically active organ subjected to continuous remodeling process that involves resorption by osteoclast and subsequent formation by osteoblasts. Osteoclast involvement in this physiological event is regulated by macrophage colony-stimulating factor (M-CSF) and receptor activator of nuclear factor κB ligand (RANKL). Fusion of mono-nuclear pre-osteoclasts is a critical event for osteoclast differentiation and for bone resorption. Here we show that PBMCs can be successfully fused with polyethylenglicol (PEG) in order to generated viable osteoclast-like cells that exhibit tartrate-resistant acid phosphatase (TRAP) and bone resorptive activities...
March 25, 2017: Journal of Molecular Histology
https://www.readbyqxmd.com/read/28340056/neutrophil-derived-mitochondrial-dna-promotes-receptor-activator-of-nuclear-factor-%C3%AE%C2%BAb-and-its-ligand-signalling-in-rheumatoid-arthritis
#20
Anne Contis, Stéphane Mitrovic, Julie Lavie, Isabelle Douchet, Estibaliz Lazaro, Marie-Elise Truchetet, Cyril Goizet, Cécile Contin-Bordes, Thierry Schaeverbeke, Patrick Blanco, Rodrigue Rossignol, Benjamin Faustin, Christophe Richez, Pierre Duffau
Objectives.: Mitochondrial DNA (mtDNA) contains sequestered damage-associated molecular patterns that might be involved in osteoimmunological pathogenesis of RA. Here, we aimed to investigate the cellular source of mtDNA and its role in RANK ligand (RANKL) expression by RA SF neutrophils. Methods.: The gene expression signature of SF neutrophils was examined by proteomic quantitative analysis. Levels of mtDNA in circulating and SF neutrophils from RA patients and OA control subjects were assessed by real-time PCR...
March 13, 2017: Rheumatology
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