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https://www.readbyqxmd.com/read/28211081/h3f3a-mutation-in-giant-cell-tumour-of-the-bone-is-detected-by-immunohistochemistry-using-a-monoclonal-antibody-against-the-g34w-mutated-site-of-the-histone-h3-3-variant
#1
Julian Lüke, Alexandra von Baer, Jordan Schreiber, Christoph Lübbehüsen, Thomas Breining, Kevin Mellert, Ralf Marienfeld, Markus Schultheiss, Peter Möller, Thomas Fe Barth
AIMS: Giant cell tumour of bone (GCTB) is a neoplasm predominantly of long bones characterised by the H3F3A mutation G34W. Conventional diagnostic is challenged by the tumour's giant cell-rich morphology, which overlaps with other giant cell containing lesions of the bone. Recently, a monoclonal antibody specific for the H3F3A mutation has been generated. Our aim was to test this antibody on a cohort of giant cell containing lesions. METHODS AND RESULTS: We used the antibody for analysis of 22 H3F3A-mutated GCTB, including two patients with recurrences; for comparison we analysed a cohort of 36 H3F3A-wild-type giant cell-rich lesions of the bone and soft tissue, containing one brown tumour, six aneurysmal bone cysts, six chondroblastomas, five non-ossifying-fibromas, two fibrous dysplasias, nine tenosynovial giant cell tumours, one giant cell-rich sarcoma and six osteosarcomas...
February 17, 2017: Histopathology
https://www.readbyqxmd.com/read/28209487/lipoxin-a4-suppresses-osteoclastogenesis-in-raw264-7-cells-and-prevents-ovariectomy-induced-bone-loss
#2
Changyu Liu, Hanfeng Guan, Cong Cai, Feng Li, Jun Xiao
Lipoxin A4 (LXA4; 5S, 6R, 15Strihydroxy- 7,9,13-trans-11-eicosatetraenoic acid) is a metabolic product of arachidonic acid under the action of lipoxidase. This lipid molecule plays important roles in several biological functions, especially inflammatory processes. In vivo, LXA4 regulates the inflammatory response through several signaling pathways. Its mechanism suggests that it might have an effect on osteoclastogenesis and bone loss. Using both in vitro and in vivo studies, it was here observed that LXA4 could significantly inhibit the formation and function of osteoclasts and these effects could be blocked by Boc-2, the specific inhibitor of FPR2/ALX (the receptor of LXA4)...
February 13, 2017: Experimental Cell Research
https://www.readbyqxmd.com/read/28208958/radiological-and-histopathological-outcome-of-giant-cell-tumor-of-femur-with-denosumab-treatment-a-case-report
#3
Preethi Dileep Menon, R Krishnakumar, Annie Jojo
Giant Cell Tumour of Bone (GCTB) is a benign but locally aggressive osteolytic skeletal neoplasm of young adults consisting of giant cells expressing RANK (Receptor Activator of Nuclear Factor-κB) and mesenchymal spindle-like stromal cells expressing RANKL (RANK ligand). The interaction of these cells leads to bone resorption. Recently, the RANKL inhibitor, denosumab, has demonstrated activity against giant-cell tumours. The current article reports a case of a Giant cell tumour of left distal femur with pathological fracture...
December 2016: Journal of Clinical and Diagnostic Research: JCDR
https://www.readbyqxmd.com/read/28206761/molecular-cobalt-complexes-with-pendant-amines-for-selective-electrocatalytic-reduction-of-carbon-dioxide-to-formic-acid
#4
Souvik Roy, Bhaskar Sharma, Jacques Pecaut, Philippe Simon, Marc Fontecave, Phong D Tran, Etienne Derat, Vincent Artero
We report here on a new series of CO2-reducing molecular catalysts based on Earth-abundant elements that are very selective for the production of acid formic in DMF/water mixtures (Faradaic efficiency of 90±10%) at moderate overpotentials (500-700 mV in DMF measured at the middle of the catalytic wave). The [CpCo(PR2NR'2)I]+compounds contain diphosphine ligands PR2NR'2 with two pendent amine residues that act as proton relays during CO2 reduction catalysis and tune their activity. Four different PR2NR'2 ligands with cyclohexyl or phenyl substituents on phosphorus and benzyl or phenyl substituents on nitrogen were employed and the compound with the most electron-donating phosphine ligand and the most basic amine functions performs best among the series with turnover frequency >1000 s 1...
February 16, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28204822/melittin-inhibits-osteoclast-formation-through-the-downregulation-of-the-rankl-rank-signaling-pathway-and-the-inhibition-of-interleukin-1%C3%AE-in-murine-macrophages
#5
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/28197370/infiltration-of-pd-1-positive-cells-in-combination-with-tumor-site-pd-l1-expression-is-a-positive-prognostic-factor-in-cutaneous-angiosarcoma
#6
Yuki Honda, Atsushi Otsuka, Sachiko Ono, Yosuke Yamamoto, Judith A Seidel, Satoshi Morita, Masahiro Hirata, Tatsuki R Kataoka, Tatsuya Takenouchi, Kazuyasu Fujii, Takuro Kanekura, Yuko Okubo, Kenzo Takahashi, Teruki Yanagi, Daichi Hoshina, Hiroo Hata, Riichiro Abe, Taku Fujimura, Takeru Funakoshi, Koji Yoshino, Mamiko Masuzawa, Yasuyuki Amoh, Ryota Tanaka, Yasuhiro Fujisawa, Tetsuya Honda, Kenji Kabashima
Cutaneous angiosarcoma (CAS) is a malignant sarcoma with poor prognosis. Programmed cell death-1 (PD-1)/programmed cell death-1 ligand-1 (PD-L1) expression reflects antitumor immunity, and is associated with patient prognosis in various cancers. The purpose of this study is to investigate the relationship between PD-1/PD-L1 expression and CAS prognosis. CAS cases (n = 106) were immunohistochemically studied for PD-L1 and PD-1 expression, and the correlation with patient prognosis was analyzed. PD-L1 expression was assessed by flow cytometry on three CAS cell lines with or without IFNγ stimulation...
2017: Oncoimmunology
https://www.readbyqxmd.com/read/28197315/affinity-based-selectivity-profiling-of-an-in-class-selective-competitive-inhibitor-of-acyl-protein-thioesterase-2
#7
Sang Joon Won, Joseph D Eschweiler, Jaimeen D Majmudar, Fei San Chong, Sin Ye Hwang, Brandon T Ruotolo, Brent R Martin
Activity-based protein profiling (ABPP) has revolutionized the discovery and optimization of active-site ligands across distinct enzyme families, providing a robust platform for in-class selectivity profiling. Nonetheless, this approach is less straightforward for profiling reversible inhibitors and does not access proteins outside the ABPP probe's target profile. While the active-site competitive acyl protein thioesterase 2 inhibitor ML349 (Ki = 120 nM) is highly selective within the serine hydrolase enzyme family, it could still interact with other cellular targets...
February 9, 2017: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28191941/a-hybrid-knowledge-based-and-empirical-scoring-function-for-protein-ligand-interaction-smog2016
#8
Théau Debroise, Eugene I Shakhnovich, Nicolas Chéron
We present the third generation of our scoring function for the prediction of protein-ligand binding free energy. This function is now a hybrid between a knowledge-based potential and an empirical function. We constructed a diversified set of ~1000 complexes from the PDBBinding-CN database for the training of the function and we show that this number of complexes generate enough data to build the potential. The occurrence of 420 different types of atomic pair wise interactions is computed in up to five different ranges of distances to derive the knowledge-based part...
February 13, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28182403/forging-the-basis-for-developing-protein-ligand-interaction-scoring-functions
#9
Zhihai Liu, Minyi Su, Li Han, Jie Liu, Qifan Yang, Yan Li, Renxiao Wang
In structure-based drug design, scoring functions are widely used for fast evaluation of protein-ligand interactions. They are often applied in combination with molecular docking and de novo design methods. Since the early 1990s, a whole spectrum of protein-ligand interaction scoring functions have been developed. Regardless of their technical difference, scoring functions all need data sets combining protein-ligand complex structures and binding affinity data for parametrization and validation. However, data sets of this kind used to be rather limited in terms of size and quality...
February 9, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28173834/osteoprotegerin-and-breast-cancer-risk-by-hormone-receptor-subtype-a-nested-case-control-study-in-the-epic-cohort
#10
Renée T Fortner, Danja Sarink, Helena Schock, Theron Johnson, Anne Tjønneland, Anja Olsen, Kim Overvad, Aurélie Affret, Mathilde His, Marie-Christine Boutron-Ruault, Heiner Boeing, Antonia Trichopoulou, Androniki Naska, Philippos Orfanos, Domenico Palli, Sabina Sieri, Amalia Mattiello, Rosario Tumino, Fulvio Ricceri, H Bas Bueno-de-Mesquita, Petra H M Peeters, Carla H Van Gils, Elisabete Weiderpass, Eiliv Lund, J Ramón Quirós, Antonio Agudo, Maria-José Sánchez, María-Dolores Chirlaque, Eva Ardanaz, Miren Dorronsoro, Tim Key, Kay-Tee Khaw, Sabina Rinaldi, Laure Dossus, Marc Gunter, Melissa A Merritt, Elio Riboli, Rudolf Kaaks
BACKGROUND: Circulating osteoprotegerin (OPG), a member of the receptor activator of nuclear factor kappa-B (RANK) axis, may influence breast cancer risk via its role as the decoy receptor for both the RANK ligand (RANKL) and tumor necrosis factor-related apoptosis-inducing ligand (TRAIL). Circulating OPG and breast cancer risk has been examined in only one prior study. METHODS: A case-control study was nested in the European Prospective Investigation into Cancer and Nutrition (EPIC) cohort...
February 8, 2017: BMC Medicine
https://www.readbyqxmd.com/read/28164066/giant-cell-tumor-developing-in-paget-s-disease-of-bone-a-case-report-with-review-of-literature
#11
Vivek Verma, Ajay Puri, Sanket Shah, Bharat Rekhi, Ashish Gulia
INTRODUCTION: Paget's disease of bone (PDB) is a disease of elderly characterized by disorganized bone remodeling. Development of secondary neoplasm in PDB is a known but rare phenomenon. Development of giant cell tumor in PDB (GCT-PDB) is extremely rare, and little is known about its etiopathogenesis and management. We present a case report of such a development with a review of the literature and the role of various new modalities of treatment available in the management of this rare condition...
September 2016: Journal of Orthopaedic Case Reports
https://www.readbyqxmd.com/read/28158928/baicalin-positively-regulates-osteoclast-function-by-activating-mapk-mitf-signalling
#12
Li Lu, Li Rao, Huanhuan Jia, Jun Chen, Xingyan Lu, Guozhu Yang, Qingnan Li, Kenneth Ka Ho Lee, Li Yang
Activation of osteoblasts in bone formation and osteoclasts in bone resorption is important during the bone fracture healing process. There has been a long interest in identifying and developing a natural therapy for bone fracture healing. In this study, we investigated the regulation of osteoclast differentiation by baicalin, which is a natural molecule extracted from Eucommiaulmoides (small tree native to China). It was determined that baicalin enhanced osteoclast maturation and bone resorption activity in a dose-dependent manner...
February 3, 2017: Journal of Cellular and Molecular Medicine
https://www.readbyqxmd.com/read/28158180/unifying-view-of-mechanical-and-functional-hotspots-across-class-a-gpcrs
#13
Luca Ponzoni, Giulia Rossetti, Luca Maggi, Alejandro Giorgetti, Paolo Carloni, Cristian Micheletti
G protein-coupled receptors (GPCRs) are the largest superfamily of signaling proteins. Their activation process is accompanied by conformational changes that have not yet been fully uncovered. Here, we carry out a novel comparative analysis of internal structural fluctuations across a variety of receptors from class A GPCRs, which currently has the richest structural coverage. We infer the local mechanical couplings underpinning the receptors' functional dynamics and finally identify those amino acids whose virtual deletion causes a significant softening of the mechanical network...
February 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28138060/rna-puzzles-round-iii-3d-rna-structure-prediction-of-five-riboswitches-and-one-ribozyme
#14
Zhichao Miao, Ryszard W Adamiak, Maciej Antczak, Robert T Batey, Alexander J Becka, Marcin Biesiada, Michał J Boniecki, Janusz Bujnicki, Shi-Jie Chen, Clarence Yu Cheng, Fang-Chieh Chou, Adrian R Ferré-D'Amaré, Rhiju Das, Wayne K Dawson, Ding Feng, Nikolay V Dokholyan, Stanisław Dunin-Horkawicz, Caleb Geniesse, Kalli Kappel, Wipapat Kladwang, Andrey Krokhotin, Grzegorz E Łach, François Major, Thomas H Mann, Marcin Magnus, Katarzyna Pachulska-Wieczorek, Dinshaw J Patel, Joseph A Piccirilli, Mariusz Popenda, Katarzyna J Purzycka, Aiming Ren, Greggory M Rice, John Santalucia, Joanna Sarzynska, Marta Szachniuk, Arpit Tandon, Jeremiah J Trausch, Siqi Tian, Jian Wang, Kevin M Weeks, Benfeard Williams, Yi Xiao, Xiaojun Xu, Dong Zhang, Tomasz Zok, Eric Westhof
RNA-Puzzles is a collective experiment in blind 3D RNA structure prediction. We report here a third round of RNA-Puzzles. Five puzzles, 4, 8, 12, 13, 14, all structures of riboswitch aptamers and puzzle 7, a ribozyme structure, are included in this round of the experiment. The riboswitch structures include biological binding sites for small molecules (S-adenosyl methionine, cyclic diadenosine monophosphate, 5-amino 4-imidazole carboxamide riboside 5'-triphosphate, glutamine) and proteins (YbxF) and one set describes large conformational changes between ligand-free and ligand-bound states; the Varkud satellite ribozyme is the most recently solved structure of a known large ribozyme...
January 30, 2017: RNA
https://www.readbyqxmd.com/read/28137238/a-practical-guide-to-molecular-docking-and-homology-modelling-for-medicinal-chemists
#15
Anna E Lohning, Stephan M Levonis, Billy Williams-Noonan, Stephanie S Schweiker
Elucidating details of the relationship between molecular structure and a particular biological end point is essential for successful rationally-based drug discovery. Molecular docking is a widely accepted tool for lead identification however navigating the intricacies of the software can be daunting. Our objective was therefore to provide a step-by-step guide for those interested in incorporating contemporary basic molecular docking and homology modelling into their design strategy. Three molecular docking programs, AutoDock4, SwissDock and Surflex-Dock, were compared in the context of a case study where a set of steroidal and non-steroidal ligands were docked into the human androgen receptor (hAR) using both rigid and flexible target atoms...
January 30, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28135036/a-molecular-dynamics-shared-pharmacophore-approach-to-boost-early-enrichment-virtual-screening-a-case-study-on-ppar-alpha
#16
Ugo Perricone, Marcus Wieder, Thomas Seidel, Thierry Langer, Alessandro Padova, Anna Maria Almerico, Marco Tutone
Molecular Dynamics (MD) simulations can be used, prior to virtual screening, to add flexibility to proteins, and study them in a dynamical way. Furthermore, the use of multiple crystal structures of the same protein containing different co-crystallised ligands, can help to better elucidate the role of the ligand on protein active conformation, and then explore the most common interactions between small molecules and the receptor. In this work, we evaluated the contribution of the combined use of MD on crystal structures containing the same protein but different ligands to examine the crucial ligand-protein interactions within the complexes...
January 30, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28129617/computational-study-involving-identification-of-endocrine-disrupting-potential-of-herbicides-its-implication-in-tds-and-cancer-progression-in-crpc-patients
#17
Md Irshad Ahmad, Afia Usman, Masood Ahmad
Several environmental pollutants, including herbicides, act as endocrine disrupting chemicals (EDCs). They can cause cancer, diabetes, obesity, metabolic diseases and developmental problems. Present study was conducted to screen 608 herbicides for evaluating their endocrine disrupting potential. The screening was carried out with the help of endocrine disruptome docking program, http://endocrinedisruptome.ki.si (Kolsek et al., 2013). This program screens the binding affinity of test ligands to 12 major nuclear receptors...
January 16, 2017: Chemosphere
https://www.readbyqxmd.com/read/28122037/novel-parp-1-inhibitor-scaffolds-disclosed-by-a-dynamic-structure-based-pharmacophore-approach
#18
Salete J Baptista, Maria M C Silva, Elisabetta Moroni, Massimiliano Meli, Giorgio Colombo, Teresa C P Dinis, Jorge A R Salvador
PARP-1 inhibition has been studied over the last decades for the treatment of various diseases. Despite the fact that several molecules act as PARP-1 inhibitors, a reduced number of compounds are used in clinical practice. To identify new compounds with a discriminatory PARP-1 inhibitory function, explicit-solvent molecular dynamics simulations using different inhibitors bound to the PARP-1 catalytic domain were performed. The representative structures obtained were used to generate structure-based pharmacophores, taking into account the dynamic features of receptor-ligand interactions...
2017: PloS One
https://www.readbyqxmd.com/read/28120533/comparative-binding-to-dr4-and-dr5-receptors-of-trail-and-bnnts-pahe-mpeg-dspe-trail-nanoparticles
#19
Yves Claude Guillaume, Claire André
TRAIL is a member of the tumor necrosis factor family of cytokines, which induces apoptosis of cancer cells, thanks to its binding to its cognate receptors DR5 and DR4. We have recently demonstrated that nanovectorization of TRAIL with single-walled carbon nanotubes enhanced TRAIL affinity to DR5. In this paper, 1-pyrenebutyric acid N-hydroxysuccinimide ester functionalized boron nitride nanotubes (BNNTs) were used to anchor the TRAIL protein. The resulting BNNT/1-pyrenebutyric acid N-hydroxysuccinimide ester nanotubes were mixed with methoxy-poly(ethylene glycol)-1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-conjugates so as to allow a good dispersion of these nanoparticle TRAIL (NPT) in aqueous solution...
January 25, 2017: Journal of Molecular Recognition: JMR
https://www.readbyqxmd.com/read/28109294/probing-the-intermolecular-interactions-of-ppar%C3%AE-lbd-with-polyunsaturated-fatty-acids-and-their-anti-inflammatory-metabolites-to-infer-most-potential-binding-moieties
#20
Shalini Muralikumar, Umashankar Vetrivel, Angayarkanni Narayanasamy, Undurti N Das
BACKGROUND: PPARγ is an isoform of peroxisome proliferator-activated receptor (PPAR) belonging to a super family of nuclear receptors. PPARγ receptor is found to play a crucial role in the modulation of lipid and glucose homeostasis. Its commotion has been reported to play a significant role in a broad spectrum of diseases such as type 2 diabetes mellitus, inflammatory diseases, Alzheimer's disease, and in some cancers. Hence, PPARγ is an important therapeutic target. Polyunsaturated fatty acids (PUFAs) and their metabolites (henceforth referred to as bioactive lipids) are known to function as agonists of PPARγ...
January 21, 2017: Lipids in Health and Disease
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