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https://www.readbyqxmd.com/read/28635627/molecular-quantum-similarity-chemical-reactivity-and-database-screening-of-3d-pharmacophores-of-the-protein-kinases-a-b-and-g-from-mycobacterium-tuberculosis
#1
Alejandro Morales-Bayuelo
Mycobacterium tuberculosis remains one of the world's most devastating pathogens. For this reason, we developed a study involving 3D pharmacophore searching, selectivity analysis and database screening for a series of anti-tuberculosis compounds, associated with the protein kinases A, B, and G. This theoretical study is expected to shed some light onto some molecular aspects that could contribute to the knowledge of the molecular mechanics behind interactions of these compounds, with anti-tuberculosis activity...
June 21, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28628088/an-individualised-risk-adapted-protocol-of-pre-and-post-transplant-zoledronic-acid-reduces-bone-loss-after-allogeneic-stem-cell-transplantation-results-of-a-phase-ii-prospective-trial
#2
A Grigg, B Butcher, B Khodr, A Bajel, M Hertzberg, S Patil, A B D'Souza, P Ganly, P Ebeling, E Wong
Bone loss occurs frequently following allogeneic haematopoietic stem cell transplantation (alloSCT). The Australasian Leukaemia and Lymphoma Group conducted a prospective phase II study of pretransplant zoledronic acid (ZA) and individualised post-transplant ZA to prevent bone loss in alloSCT recipients. Patients received ZA 4 mg before conditioning. Administration of post-transplant ZA from days 100 to 365 post alloSCT was determined by a risk-adapted algorithm based on serial bone density assessments and glucocorticoid exposure...
June 19, 2017: Bone Marrow Transplantation
https://www.readbyqxmd.com/read/28622548/early-bony-changes-associated-with-bisphosphonate-related-osteonecrosis-of-the-jaws-in-rats-a-longitudinal-in-vivo-study
#3
Josy Lorena Peres Vilarinho, Nathália Ferrare, Andreia Maria Rocha Moreira, Helora Freitas Moura, Ana Carolina Acevedo, Sacha Braun Chaves, Nilce Santos Melo, André Ferreira Leite, Sérgio Bruzadelli Macedo, Melissa Paoletti de Souza, Ana Tereza Bittencourt Guimarães, Paulo Tadeu Figueiredo
OBJECTIVE: To evaluate early bony changes in an animal model of Medication-Related Osteonecrosis of the Jaw (MRONJ) at the side of the local trauma and at the contralateral side, comparing with a control group. Bony changes were evaluated by Microcomputed Tomography (MicroCT) at three times points: at baseline (T0), after drug administration (T1) and after dental extraction (T2). DESIGN: Two groups were compared: the experimental group in which zoledronic acid (ZA) was administered (17 rats) and the control group (13 rats)...
June 6, 2017: Archives of Oral Biology
https://www.readbyqxmd.com/read/28621390/kemijski-laboratorij-celjske-kraljice-ob-580-letnici-kronanja-%C3%A4-e%C3%A5-ke-kraljice-barbare-celjske-chemical-laboratory-of-celje-queen-at-580th-anniversary-of-bohemian-coronation-of-queen-barbara-of-celje
#4
Stanislav Južnič
Barbara Celjska je bila gotovo najbogatejša alkimistka vseh časov. Prispevek skuša pojasniti kakšni poskusi so potekali v njenem laboratoriju in nakazati, katere tehniške kemijske naprave je utegnila pri tem uporabljati. Ker je bila večina leteh iz zlahka lomljivih snovi, bi bilo njihovo iskanje brškone brez haska, saj ni veliko upanja za njihovo ohranitev. Barbara of Cilli was certainly the richest female alchemist of all times. The article tries to explain what kind of experiments she carried out in her laboratory and indicate which technical chemical plant she likely has used...
June 2017: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/28619360/further-delineation-of-cog8-cdg-a-case-with-novel-compound-heterozygous-mutations-diagnosed-by-targeted-exome-sequencing
#5
Aram Yang, Sung Yoon Cho, Ja-Hyun Jang, Jinsup Kim, Sook Za Kim, Beom Hee Lee, Han-Wook Yoo, Dong-Kyu Jin
Congenital disorders of glycosylation (CDG) are a rapidly expanding group of inherited metabolic disorders with highly variable clinical presentations caused by deficient glycosylation of proteins and/or lipids. CDG-IIh is a very rare subgroup of CDG caused by mutations in the conserved oligomeric Golgi (COG) complex gene, COG8, and so far, only two cases have been reported in the medical literature. Here, we describe an 8-year-old Korean boy with psychomotor retardation, hypotonia, failure to thrive, elevated serum liver enzymes, microcephaly, and talipes equinovarus...
June 13, 2017: Clinica Chimica Acta; International Journal of Clinical Chemistry
https://www.readbyqxmd.com/read/28608802/enhanced-osteogenic-differentiation-in-zoledronate-treated-osteoporotic-patients
#6
Luca Dalle Carbonare, Monica Mottes, Giovanni Malerba, Antonio Mori, Martina Zaninotto, Mario Plebani, Alessandra Dellantonio, Maria Teresa Valenti
Bisphosphonates are well known inhibitors of osteoclast activity and thus may be employed to influence osteoblast activity. The present study was designed to evaluate the in vivo effects of zoledronic acid (ZA) on the proliferation and osteoblastic commitment of mesenchymal stem cells (MSC) in osteoporotic patients. We studied 22 postmenopausal osteoporotic patients. Densitometric, biochemical, cellular and molecular data were collected before as well as after 6 and 12 months of ZA treatment. Peripheral blood MSC-like cells were quantified by colony-forming unit fibroblastic assay; their osteogenic differentiation potential was evaluated after 3 and 7 days of induction, respectively...
June 13, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28604945/adrenal-tumour-bigger-than-5-cm-what-could-it-be-an-analysis-of-139-cases
#7
Andrzej Cichocki, Radoslaw Samsel, Lucyna Papierska, Katarzyna Roszkowska-Purska, Karolina Nowak, Zbigniew Jodkiewicz, Anna Kasperlik-Załuska
INTRODUCTION: There is an increasing number of adrenal being tumours discovered incidentally during imaging examinations performed for many different indications. Radiological findings suggesting adrenal pathology may be caused by true adrenal tumours or by other retroperitoneal masses. Generally, the larger the tumour, the higher the possibility of adrenal cancer. MATERIAL AND METHODS: Analysis of our data - 139 operations performed over 11 years (2004-2014) in patients with tumours in the adrenal area larger than 5 cm...
June 12, 2017: Endokrynologia Polska
https://www.readbyqxmd.com/read/28604257/genetic-factors-related-with-early-onset-of-osteonecrosis-of-the-jaw-in-patients-with-multiple-myeloma-under-zoledronic-acid-therapy
#8
Efstathios Kastritis, Pelagia Melea, Tina Bagratuni, Ioannis Melakopoulos, Maria Gavriatopoulou, Maria Roussou, Magdalini Migkou, Evangelos Eleutherakis-Papaiakovou, Evangelos Terpos, Meletios A Dimopoulos
Specific genetic polymorphisms (SNPs) have been correlated with the development of bisphosphonate-related osteonecrosis of the jaw (BRONJ) in small series. We screened 140 myeloma patients (36 patients with and 104 without BRONJ) for the presence of previously identified SNPs in PPARG and CYP2C8 genes. All the patients received exclusively zolendronic acid (ZA) therapy and were followed prospectively for BRONJ. SNPs in both genes were associated with a higher risk of development of early BRONJ, occurring within less than 2 years of ZA therapy (59% vs...
June 11, 2017: Leukemia & Lymphoma
https://www.readbyqxmd.com/read/28580927/the-atp-binding-cassette-transporter-a1-regulates-phosphoantigen-release-and-v%C3%AE-9v%C3%AE-2-t-cell-activation-by-dendritic-cells
#9
Barbara Castella, Joanna Kopecka, Patrizia Sciancalepore, Giorgia Mandili, Myriam Foglietta, Nico Mitro, Donatella Caruso, Francesco Novelli, Chiara Riganti, Massimo Massaia
Vγ9Vδ2 T cells are activated by phosphoantigens, such as isopentenyl pyrophosphate (IPP), which is generated in the mevalonate pathway of antigen-presenting cells. IPP is released in the extracellular microenvironment via unknown mechanisms. Here we show that the ATP-binding cassette transporter A1 (ABCA1) mediates extracellular IPP release from dendritic cells (DC) in cooperation with apolipoprotein A-I (apoA-I) and butyrophilin-3A1. IPP concentrations in the supernatants are sufficient to induce Vγ9Vδ2 T cell proliferation after DC mevalonate pathway inhibition with zoledronic acid (ZA)...
June 5, 2017: Nature Communications
https://www.readbyqxmd.com/read/28575169/md-task-a-software-suite-for-analyzing-molecular-dynamics-trajectories
#10
David K Brown, David L Penkler, Olivier Sheik Amamuddy, Caroline Ross, Ali Rana Atilgan, Canan Atilgan, Özlem Tastan Bishop
Summary: Molecular dynamics (MD) determines the physical motions of atoms of a biological macromolecule in a cell-like environment and is an important method in structural bioinformatics. Traditionally, measurements such as root mean square deviation, root mean square fluctuation, radius of gyration, and various energy measures have been used to analyze MD simulations. Here, we present MD-TASK, a novel software suite that employs graph theory techniques, perturbation response scanning, and dynamic cross-correlation to provide unique ways for analyzing MD trajectories...
May 31, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28569386/risk-score-to-assess-mortality-risk-in-patients-undergoing-transvenous-lead-extraction
#11
Ewa Oszczygieł, Andrzej Kutarski, Andrzej Oszczygieł, Beata Mańkowska-Załuska, Michał Chudzik, Jerzy Krzysztof Wranicz, Iwona Cygankiewicz
AIMS: The main aim of a study was to assess one-year mortality and its predictors in a cohort of patients who underwent transvenous lead extraction (TLE) procedure. METHODS: Retrospective analysis of clinical characteristics and 1-year follow up of patients referred for a TLE procedure in a single high volume center between June 2006 and October 2014 was performed. RESULTS: The studied population included 130 patients (82 males; mean age 64 ±15 years) implanted with pacemakers (74%), implantable cardioverter defibrillators (15%), or cardiac resynchronization therapy defibrillator (11%)...
June 1, 2017: Pacing and Clinical Electrophysiology: PACE
https://www.readbyqxmd.com/read/28552199/cytoprotective-effects-of-melatonin-on-zoledronic-acid-treated-human-osteoblasts
#12
F Camacho-Alonso, I Urrutia-Rodríguez, D Oñate-Cabrerizo, R E Oñate-Sánchez, F J Rodríguez-Lozano
OBJECTIVE: To evaluate the cytoprotective effects of melatonin (MLT) on zoledronic acid (ZA)-treated human osteoblasts. METHODS: Human osteoblasts were exposed to ZA (1, 5, 10, 50, 100 and 300 μM) and MLT (1, 10, 50, 100 y 200 μM) for 24, 48 and 72 h of incubation, to evaluate their effects on cell viability. RESULTS: As ZA concentration increased, greater reductions in cell viability of human osteoblasts were induced whether at 24, 48 or 72 h incubation...
April 18, 2017: Journal of Cranio-maxillo-facial Surgery
https://www.readbyqxmd.com/read/28543687/effect-of-a-single-intravenous-zoledronic-acid-administration-on-biomarkers-of-acute-kidney-injury-aki-in-patients-with-osteoporosis-a-pilot-study
#13
C Cipriani, J Pepe, C Clementelli, R Manai, L Colangelo, V Fassino, L Nieddu, S Minisola
AIMS: The pilot study was designed to evaluate the early effect of intravenous (iv) zoledronic acid (ZA) on renal function. METHODS: Five mg iv ZA was administered to 23 patients with osteoporosis (17 women and 6 men, mean age 73±7 SD years). Urinary NGAL, KIM-1, and MCP-1, plasma (p) MCP-1 and serum (s) IL-18, serum calcium (sCa), Creatinine clearance (CrCl), parathyroid hormone (PTH), plasma C-terminal FGF23 (pFGF23), serum (s) Klotho, calcium excretion (CaEx) and renal threshold phosphate concentration/GFR (TmPO4/GFR) were assessed at baseline, 24 hours (h) and day (d) 30 after administration...
May 25, 2017: British Journal of Clinical Pharmacology
https://www.readbyqxmd.com/read/28537526/composite-biomaterial-as-a-carrier-for-bone-active-substances-for-metaphyseal-tibial-bone-defect-reconstruction-in-rats
#14
Peter Frederik Horstmann, Deepak Raina, Hanna Isaksson, Werner Hettwer, Lars Lidgren, Michael Mørk Petersen, Magnus Tägil
Restoring lost bone is a major challenge in orthopedic surgery. Currently available treatment-strategies all have shortcomings, like risk of infection, non-union and excessive resorption. Our primary aim was to study if a commercially available gentamicin-containing composite calcium sulphate/hydroxyapatite biomaterial (GBM) could serve as a carrier for local delivery of bone morphogenic protein-2 (BMP-2) and zoledronic acid (ZA) in a tibia defect-model in rats. Empty and allograft-filled defects were used as controls...
May 24, 2017: Tissue Engineering. Part A
https://www.readbyqxmd.com/read/28537286/strain-effects-on-phonon-transport-in-antimonene-investigated-using-a-first-principles-study
#15
Ai-Xia Zhang, Jiang-Tao Liu, San-Dong Guo, Hui-Chao Li
Strain engineering is a very effective method to continuously tune the electronic, topological, optical and thermoelectric properties of materials. In this work, strain-dependent phonon transport of recently-fabricated antimonene (Sb monolayers) under biaxial strain is investigated using a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation (RTA). It is found that the ZA dispersion of antimonene with strain less than -1% gives imaginary frequencies, which suggests that compressive strain can induce structural instability...
June 7, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28535045/bet-bromodomain-inhibitors-with-one-step-synthesis-discovered-from-virtual-screen
#16
Alex M Ayoub, Laura M L Hawk, Ryan J Herzig, Jiewei Jiang, Andrea J Wisniewski, Clifford T Gee, Peiliang Zhao, Jin-Yi Zhu, Norbert Berndt, Nana K Offei-Addo, Thomas G Scott, Jun Qi, James E Bradner, Timothy R Ward, Ernst Schönbrunn, Gunda I Georg, William C K Pomerantz
Chemical inhibition of epigenetic regulatory proteins BrdT and Brd4 is emerging as a promising therapeutic strategy in contraception, cancer, and heart disease. We report an easily synthesized dihydropyridopyrimidine pan-BET inhibitor scaffold, which was uncovered via a virtual screen followed by testing in a fluorescence anisotropy assay. Dihydropyridopyimidine 3 was subjected to further characterization and is highly selective for the BET family of bromodomains. Structure-activity relationship data and ligand deconstruction highlight the importance of the substitution of the uracil moiety for potency and selectivity...
June 7, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28534698/effect-of-parathyroid-hormone-on-healing-in-osteoporotic-fractures-via-a-phospholipase-c-independent-pathway
#17
Wei-Long Li, Xiao Yu, Zhi-Ping Huang, Qing-Jiang Pang
Objective This study was performed to investigate the effect of parathyroid hormone (PTH) on healing in osteoporotic fractures via a phospholipase C (PLC)-independent pathway and explore the mechanism of PTH-mediated bone formation. Methods Ninety-six 12-week-old C57BL/6J female mice underwent bilateral ovariectomy. One month later, the lower third of the femur was fractured and the mice were treated using saline, PTH(1-28), PTH(1-34), zoledronic acid (ZA), PTH(1-28)+ZA, and PTH(1-34)+ZA. The mice were killed at weeks 2 and 4 in each group...
January 1, 2017: Journal of International Medical Research
https://www.readbyqxmd.com/read/28532408/bone-turnover-and-periprosthetic-bone-loss-after-cementless-total-hip-arthroplasty-can-be-restored-by-zoledronic-acid-a-prospective-randomized-open-label-controlled-trial
#18
Tsan-Wen Huang, Chao-Jan Wang, Hsin-Nung Shih, Yuhan Chang, Kuo-Chin Huang, Kuo-Ti Peng, Mel S Lee
BACKGROUND: Although the loss of bone mineral density (BMD) after total hip arthroplasty (THA) is a known problem, it remains unresolved. This study prospectively examined the effect of zoledronic acid (ZA) on bone turnover and BMD after cementless THA. METHODS: Between January 2010 and August 2011, 60 patients who underwent cementless THA were randomly assigned to receive either ZA infusion or placebo (0.9% normal saline only) postoperatively. ZA was administered at 2 day and 1 year postoperatively...
May 22, 2017: BMC Musculoskeletal Disorders
https://www.readbyqxmd.com/read/28530646/the-relevance-of-the-age-of-transfused-blood-for-prognosis-after-transcatheter-aortic-valve-implantation-tavi
#19
Katarzyna Czerwińska-Jelonkiewicz, Magdalena Łętowska, Adam Witkowski, Walerian Piotrowski, Marta Załęska-Kocięcka, Janina Stępińska
INTRODUCTION    Blood transfusion after transcatheter aortic valve implantation (TAVI) is frequently required due to the high vulnerability of TAVI population and procedure related bleeding.  OBJECTIVES    We quantified the impact of post-procedural blood transfusion and the age of transfused red blood cells (RBC) units on prognosis after TAVI.  PATIENTS AND METHODS    This was a single-center, observational analysis conducted between 2009-2014. The adopted end points were early and long-term mortality after TAVI...
May 22, 2017: Polish Archives of Internal Medicine
https://www.readbyqxmd.com/read/28529150/preventive-effect-of-phosphodiesterase-inhibitor-pentoxifylline-against-medication-related-osteonecrosis-of-the-jaw-an-animal-study
#20
Gül Merve Yalcin-Ulker, Alev Cumbul, Gonca Duygu-Capar, Ünal Uslu, Kemal Sencift
PURPOSE: The aim of this experimental study was to investigate the prophylactic effect of pentoxifylline (PTX) on medication-related osteonecrosis of the jaw (MRONJ). MATERIALS AND METHODS: Female Sprague-Dawley rats (n = 33) received zoledronic acid (ZA) for 8 weeks to create an osteonecrosis model. The left mandibular second molars were extracted and the recovery period lasted 8 weeks before sacrifice. PTX was intraperitoneally administered to prevent MRONJ...
April 26, 2017: Journal of Oral and Maxillofacial Surgery
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