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https://www.readbyqxmd.com/read/29472860/magnesium-lithospermate-b-protects-against-lipopolysaccharide-induced-bone-loss-by-inhibiting-rankl-rank-pathway
#1
Jihai Wang, Xuejian Wu, Yongzhuang Duan
Lipopolysaccharide (LPS) can induce bone loss by stimulating bone resorption. Natural compounds have great potential for the treatment of osteolytic bone diseases. Magnesium lithospermate B (MLB) plays an important role in protecting against oxidative damage and also has potential anti-inflammatory pharmacological properties. However, its role in LPS-induced bone loss is still unknown. In the present study, we observed the effects of MLB on LPS-induced bone damage and investigated the possible mechanisms. The bone loss models were established by LPS administration in male Sprague-Dawley rats...
2018: Frontiers in Pharmacology
https://www.readbyqxmd.com/read/29467933/determinants-of-variability-of-five-programmed-death-ligand-1-immunohistochemistry-assays-in-non-small-cell-lung-cancer-samples
#2
Ross A Soo, Joey Sze Yun Lim, Bernadette Reyna Asuncion, Zul Fazreen, Maria Cynthia Herrera, Mohd Feroz Mohd Omar, Nguyen Hoang Diem Phuong, Ju Ee Seet, Benhur Amanuel, Barry Iacopetta, David Byrne, Shona Hendry, Stephen Fox, Richie Soong
Programmed death ligand-1 (PD-L1) expression as determined by immunohistochemistry (IHC) is potentially predictive of clinical outcome. The aim of this study was to assess the concordance of reported PD-L1 IHC assays and investigate factors influencing variability. Consecutive sections from 20 non-small cell lung cancers (NSCLCs) comprising resection, core biopsy, cytology and pleural fluid samples underwent IHC with 5 different antibody/autostainer combinations: 22C3/Link48, 28-8/BOND-MAX, E1L3N/BOND-MAX, SP142/BenchMark and SP263/BenchMark...
January 23, 2018: Oncotarget
https://www.readbyqxmd.com/read/29465313/cd5l-is-upregulated-in-hepatocellular-carcinoma-and-promotes-liver-cancer-cell-proliferation-and-antiapoptotic-responses-by-binding-to-hspa5-grp78
#3
Gemma Aran, Lucía Sanjurjo, Cristina Bárcena, Marina Simon-Coma, Érica Téllez, Maria Vázquez-Vitali, Marta Garrido, Laura Guerra, Esther Díaz, Isabel Ojanguren, Felix Elortza, Ramon Planas, Margarita Sala, Carolina Armengol, Maria-Rosa Sarrias
CD5-like (CD5L) is a soluble scavenger cysteine-rich protein that modulates inflammatory responses. We studied the involvement of CD5L in liver cancer. Immunohistochemistry (IHC) of CD5L in 60 hepatocellular carcinomas and 34 adjacent nontumor livers, showed that CD5L staining was higher in tumor than in nontumor tissue (Mann-Whitney test; P = 0.0039). High CD5L correlated with elevated proliferation (Ki67, linear regression; P < 0.0001) and lower patient event-free survival (log-rank; P = 0.0185). Accordingly, CD5L expression was detected in the liver cancer cell lines Huh7, HepG2, and SNU-398...
February 20, 2018: FASEB Journal: Official Publication of the Federation of American Societies for Experimental Biology
https://www.readbyqxmd.com/read/29463002/inhibitory-effect-of-purpurogallin-on-osteoclast-differentiation-in-vitro-through-the-downregulation-of-c-fos-and-nfatc1
#4
Kiryeong Kim, Tae Hoon Kim, Hye Jung Ihn, Jung Eun Kim, Je-Yong Choi, Hong-In Shin, Eui Kyun Park
Purpurogallin, a benzotropolone-containing natural compound, has been reported to exhibit numerous biological and pharmacological functions, such as antioxidant, anticancer, and anti-inflammatory effects. In this study, we enzymatically synthesized purpurogallin from pyrogallol and investigated its role in receptor activator of nuclear factor-κB ligand (RANKL)-induced osteoclastogenesis. Purpurogallin attenuated the formation of multinucleated tartrate-resistant acid phosphatase (TRAP)-positive osteoclasts from bone marrow macrophages (BMMs) without causing cytotoxicity, and suppressed upregulation of osteoclast-specific markers, including TRAP (Acp5), cathepsin K (Ctsk), and dendritic cell-specific transmembrane protein (Dcstamp)...
February 17, 2018: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29459582/paeoniflorin-inhibits-receptor-activator-for-nuclear-factor-%C3%AE%C2%BAb-rank-ligand-induced-osteoclast-differentiation-in-vitro-and-particle-induced-osteolysis-in-vivo
#5
Zhuokai Li, De Li, Xiaodong Chen
BACKGROUND Paeoniflorin (PF), a glucoside isolated from the dried root of Paeonia lactiflora Pall, has been reported to have a number of pharmacological properties, including immunity-regulation, anticancer activities, and neuroprotective effect. However, PF's pharmacological role in bone disorder has been seldom reported. Hence, this study was designed to investigate the effects of PF on osteoclast differentiation and osteolysis diseases. MATERIAL AND METHODS The bone marrow macrophages were isolated from C57BL/6 mice and incubated with RANK ligand (RANKL) and various concentrations of PF...
February 20, 2018: Medical Science Monitor: International Medical Journal of Experimental and Clinical Research
https://www.readbyqxmd.com/read/29457253/power-transformations-improve-interpolation-of-grids-for-molecular-mechanics-interaction-energies
#6
David D L Minh
A common strategy for speeding up molecular docking calculations is to precompute nonbonded interaction energies between a receptor molecule and a set of three-dimensional grids. The grids are then interpolated to compute energies for ligand atoms in many different binding poses. Here, I evaluate a smoothing strategy of taking a power transformation of grid point energies and inverse transformation of the result from trilinear interpolation. For molecular docking poses from 85 protein-ligand complexes, this smoothing procedure leads to significant accuracy improvements, including an approximately twofold reduction in the root mean square error at a grid spacing of 0...
February 18, 2018: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/29431438/applying-pose-clustering-and-md-simulations-to-eliminate-false-positives-in-molecular-docking
#7
Spandana Makeneni, David Thieker, Robert J Woods
In this work, we developed a computational protocol that employs multiple molecular docking experiments, followed by pose clustering, molecular dynamic simulations (10ns), and energy rescoring to produce reliable 3D models of antibody-carbohydrate complexes. The protocol was applied to 10 carbohydrate-antibody co-complexes and 3 unliganded (apo) antibodies. Pose clustering significantly reduced the number of potential poses. For each system 15 or fewer clusters, out of 100 initial poses, were generated and chosen for further analysis...
February 12, 2018: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29420638/a-desirability-based-multi-objective-approach-for-the-virtual-screening-discovery-of-broad-spectrum-anti-gastric-cancer-agents
#8
Yunierkis Perez-Castillo, Aminael Sánchez-Rodríguez, Eduardo Tejera, Maykel Cruz-Monteagudo, Fernanda Borges, M Natália D S Cordeiro, Huong Le-Thi-Thu, Hai Pham-The
Gastric cancer is the third leading cause of cancer-related mortality worldwide and despite advances in prevention, diagnosis and therapy, it is still regarded as a global health concern. The efficacy of the therapies for gastric cancer is limited by a poor response to currently available therapeutic regimens. One of the reasons that may explain these poor clinical outcomes is the highly heterogeneous nature of this disease. In this sense, it is essential to discover new molecular agents capable of targeting various gastric cancer subtypes simultaneously...
2018: PloS One
https://www.readbyqxmd.com/read/29415627/in-silico-screening-and-validation-of-high-affinity-tetra-peptide-inhibitor-of-leishmania-donovani-o-acetyl-serine-sulfhydrylase-oass
#9
Vishnu Kant, Saravanan Vijayakumar, Ganesh Chandra Sahoo, Shailendra S Chaudhery, Pradeep Das
OASS is a specific enzyme that helps Leishmania parasite to survive the oxidative stress condition in human macrophages. SAT C-terminal peptides in several organisms, including Leishmania, were reported to inhibit or reduce the activity of OASS. Small peptide and small molecules mimicking the SAT C-terminal residues are designed and tested for the inhibition of OASS in different organisms. Hence, in this study, all the possible tetra-peptide combinations were designed and screened based on the docking ability with Leishmania donovani OASS (Ld-OASS)...
February 7, 2018: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/29400334/structure-and-electrical-properties-of-a-one-dimensional-polymeric-silver-thiosaccharinate-complex-with-argentophilic-interactions
#10
Mariana Dennehy, Pilar Amo-Ochoa, Eleonora Freire, Sebastián Suárez, Emilia Halac, Ricardo Baggio
Among the potential applications of coordination polymers, electrical conductivity ranks high in technological interest. We report the synthesis, crystal structure and spectroscopic analysis of an AgI-thiosaccharinate one-dimensional coordination polymer {systematic name: catena-poly[[[aquatetrakis(μ3-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ3N:S3:S3)tetrasilver(I)]-μ2-4,4'-(propane-1,3-diyl)dipyridine-κ2N:N'] dimethyl sulfoxide hemisolvate]}, {[Ag4(C7H4NO2S2)4(C13H14N2)(H2O)]·0.5C2H6OS}n, with the 4,4'-(propane-1,3-diyl)dipyridine ligand acting as a spacer...
February 1, 2018: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/29392395/recent-advances-in-osteoclast-biology
#11
REVIEW
Takehito Ono, Tomoki Nakashima
The bone is an essential organ for locomotion and protection of the body, as well as hematopoiesis and mineral homeostasis. In order to exert these functions throughout life, bone tissue undergoes a repeating cycle of osteoclastic bone resorption and osteoblastic bone formation. The osteoclast is a large, multinucleated cell that is differentiated from monocyte/macrophage lineage cells by macrophage colony-stimulating factor (M-CSF) and receptor activator of nuclear factor-κB ligand (RANKL). RANKL transduces its signal through the signaling receptor, RANK...
February 1, 2018: Histochemistry and Cell Biology
https://www.readbyqxmd.com/read/29383763/a-zwitterionic-ligand-based-cationic-metal-organic-framework-for-rapidly-selective-dye-capture-and-highly-efficient-cr2-o72-removal
#12
Chenghui Zhang, Yuchuan Liu, Libo Sun, Huaizhong Shi, Chao Shi, Zhiqiang Liang, Jiyang Li
A cationic metal-organic framework (MOF), [Cu2 L(H2 O)2 ]⋅(NO3 )2 ⋅5.5 H2 O (1) has been successfully synthesized from a zwitterionic ligand 1,1'-bis(3,5-dicarboxyphenyl)-4,4'-bipyridinium chlorine ([H4 L]Cl2 ). The framework of compound 1 contains classical {Cu2 (O2 C)4 } paddlewheels, and possesses typical nbo-type topology and two types of channels with sizes of 5.0 and 15.54 Å. Benefitting from the 3D cationic framework and high pore volume, compound 1 shows interesting selective adsorption ability for anionic dyes...
December 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29382610/lactation-induces-increases-in-the-rank-rankl-opg-system-in-maxillary-bone
#13
Soraia Macari, Lavanya A Sharma, Amanda Wyatt, Janine Maíra da Silva, George J Dias, Tarcília A Silva, Raphael E Szawka, David R Grattan
The underlying causes of maxillary bone loss during lactation remain poorly understood. We evaluated the impact of lactation on physiological and mechanically-induced alveolar bone remodeling. Nulliparous non-lactating (N-LAC) and 21-day lactating (LAC) mice underwent mechanically-induced bone remodeling by orthodontic tooth movement (OTM). Micro-computed tomography (microCT) was performed in the maxilla, femur and vertebra. Tartrate-resistant-acid phosphatase (TRAP) and Masson's trichrome labelling was performed in the maxillary bone and gene expression was determined in the periodontal ligament...
January 27, 2018: Bone
https://www.readbyqxmd.com/read/29373511/poly-n-acetyllactosamine-neo-glycoproteins-as-nanomolar-ligands-of-human-galectin-3-binding-kinetics-and-modeling
#14
Ladislav Bumba, Dominic Laaf, Vojtěch Spiwok, Lothar Elling, Vladimír Křen, Pavla Bojarová
Galectin-3 (Gal-3) is recognized as a prognostic marker in several cancer types. Its involvement in tumor development and proliferation makes this lectin a promising target for early cancer diagnosis and anti-cancer therapies. Gal-3 recognizes poly-N-acetyllactosamine (LacNAc)-based carbohydrate motifs of glycoproteins and glycolipids with a high specificity for internal LacNAc epitopes. This study analyzes the mode and kinetics of binding of Gal-3 to a series of multivalent neo-glycoproteins presenting complex poly-LacNAc-based oligosaccharide ligands on a scaffold of bovine serum albumin...
January 26, 2018: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29368538/annals-express-the-bone-remodelling-cycle
#15
Julia S Kenkre, John H Bassett
The bone remodelling cycle replaces old and damaged bone and is a highly regulated, lifelong process essential for preserving bone integrity and maintaining mineral homeostasis. During the bone remodelling cycle osteoclastic resorption is tightly coupled to osteoblastic bone formation. The remodelling cycle occurs within the Basic Multicellular Unit and comprises five co-ordinated steps; activation, resorption, reversal, formation and termination. These steps occur simultaneously but asynchronously at multiple different locations within the skeleton...
January 1, 2018: Annals of Clinical Biochemistry
https://www.readbyqxmd.com/read/29364133/hierarchy-and-assortativity-as-new-tools-for-binding-affinity-investigation-the-case-of-the-tba-aptamer-ligand-complex
#16
Rosella Cataldo, Eleonora Alfinito, Lino Reggiani
Aptamers are single stranded DNA, RNA, or peptide sequences having the ability to bind several specific targets (proteins, molecules as well as ions). Therefore, aptamer production and selection for therapeutic and diagnostic applications is very challenging. Usually, they are generated in vitro, although computational approaches have been recently developed for the in silico production. Despite these efforts, the mechanism of aptamer-ligand formation is not completely clear, and producing high-affinity aptamers is still quite difficult...
December 2017: IEEE Transactions on Nanobioscience
https://www.readbyqxmd.com/read/29363148/association-between-bacteria-occurring-in-the-apical-canal-system-and-expression-of-bone-resorbing-mediators-and-matrix-metalloproteinases-in-apical-periodontitis
#17
A Takahama, I N Rôças, I S P Faustino, F R F Alves, R S Azevedo, C C Gomes, W R Araújo-Filho, J F Siqueira
AIM: To evaluate the association between the presence of selected bacterial species/groups in the apical root canal and expression of mediators of soft and bone tissue destruction in apical periodontitis lesions. Relationships between bacteria and some other features of apical periodontitis were also investigated. METHODOLOGY: Seventeen freshly extracted teeth with pulp necrosis and apical periodontitis were included. The apical root segment was sectioned and cryopulverized; DNA was extracted and evaluated for the presence of 9 bacterial species/groups using real-time polymerase chain reaction...
January 24, 2018: International Endodontic Journal
https://www.readbyqxmd.com/read/29361894/the-visualcmat-a-web-server-to-select-and-interpret-correlated-mutations-co-evolving-residues-in-protein-families
#18
Dmitry Suplatov, Yana Sharapova, Daria Timonina, Kirill Kopylov, Vytas Švedas
The visualCMAT web-server was designed to assist experimental research in the fields of protein/enzyme biochemistry, protein engineering, and drug discovery by providing an intuitive and easy-to-use interface to the analysis of correlated mutations/co-evolving residues. Sequence and structural information describing homologous proteins are used to predict correlated substitutions by the Mutual information-based CMAT approach, classify them into spatially close co-evolving pairs, which either form a direct physical contact or interact with the same ligand (e...
December 28, 2017: Journal of Bioinformatics and Computational Biology
https://www.readbyqxmd.com/read/29361230/cdns-sting-interaction-mechanism-investigations-and-instructions-on-design-of-cdn-derivatives
#19
Xing Che, Jun Zhang, Hui Quan, Lijiang Yang, Yi Qin Gao
Cyclic dinucleotides (CDNs) present thousand-fold differences of dissociation constants to STING, a pivotal protein in cytosolic dsDNA immunity. To understand how subtle chemical changes in CDNs leads to these substantial variances, a precise ranking of binding affinity is needed. However, the large size and flexibility of CDNs elevate the entropic effect and pose a challenge for this precise prediction. Therefore, in this paper, we developed a new protocol, a combination of Selective-Integrated Tempering Sampling of ligands and molecular docking, to take into account the entropic effects originating from extensive ligand configurational space and solvation on binding affinity evaluations...
January 23, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29348675/stac2-negatively-regulates-osteoclast-formation-by-targeting-the-rank-signaling-complex
#20
Eutteum Jeong, Han Kyoung Choi, Jin Hee Park, Soo Young Lee
The receptor activator of nuclear factor-κB (RANK) protein activates various protein kinase signaling cascades, including those involving NF-κB, mitogen-activated protein kinase (MAPK), and Bruton tyrosine kinase (Btk)/tyrosine-protein kinase Tec. However, the mechanism underlying the negative regulation of RANK by downstream signaling molecules remains unclear. Here, we report that Src homology 3 domain and cysteine-rich domain-containing protein 2 (STAC2) is a novel RANK ligand-inducible protein that negatively regulates RANK-mediated osteoclast formation...
January 18, 2018: Cell Death and Differentiation
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