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https://www.readbyqxmd.com/read/28351017/performance-of-a-docking-molecular-dynamics-protocol-for-virtual-screening-of-nutlin-class-inhibitors-of-mdmx
#1
Nagakumar Bharatham, Kristin E Finch, Jaeki Min, Anand Mayasundari, Michael A Dyer, R Kiplin Guy, Donald Bashford
A virtual screening protocol involving docking and molecular dynamics has been tested against the results of fluorescence polarization assays testing the potency of a series of compounds of the nutlin class for inhibition of the interaction between p53 and Mdmx, an interaction identified as a driver of certain cancers. The protocol uses a standard docking method (AutoDock) with a cutoff based on the AutoDock score (ADscore), followed by molecular dynamics simulation with a cutoff based on root-mean-square-deviation (RMSD) from the docked pose...
February 24, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28350999/discovery-of-novel-1-2-3-4-tetrahydrobenzo-4-5-thieno-2-3-c-pyridine-derivatives-as-potent-and-selective-cyp17-inhibitors
#2
Mingliang Wang, Yanjia Fang, Shoulai Gu, Fangfang Chen, Zhengjiang Zhu, Xun Sun, Jidong Zhu
The inhibition of CYP17 to block androgen biosynthesis is a well validated strategy for the treatment of prostate cancer. Herein we reported the design, synthesis and structure-activity relationship (SAR) study for a series of novel 1,2,3,4- tetrahydrobenzo[4,5]thieno[2,3-c]pyridine derivatives. Some analogs demonstrated a potent inhibition to both rat and human CYP17 protein and reduced testosterone production in human H295R cell line. Some analogs also showed high selectivity against other CYP enzymes such as 3A4, 1A2, 2C9, 2C19 and 2D6, which may limit side effects due to drug-drug interactions...
March 21, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28350973/is-it-really-useful-the-harmonic-scalpel-in-axillary-dissection-for-locally-advanced-breast-cancer-a-case-series
#3
G Militello, P De Marco, N Falco, K Kabhuli, A Mascolino, L Licari, R Tutino, G Cocorullo, G Gulotta
BACKGROUND: The seroma is one of the most common complications in the axillary lymph nodal dissection (different surgical approaches have been tried to reduce the seroma incidence). In our study we evaluate the outcome of patients using or not the ultrasonic scalpel (Harmonic scalpel) according to a standardized surgical technique. PATIENTS AND METHODS: From January 2011 to December 2015 120 patients underwent axillary dissection for breast cancer. Patients were divided in two groups: patients belonging to the first group underwent Harmonic scalpel dissection and patients belonging to the second group underwent classical dissection...
November 2016: Il Giornale di Chirurgia
https://www.readbyqxmd.com/read/28350952/future-advances-in-spine-surgery-the-aospine-north-america-perspective
#4
Michael G Fehlings, Christopher S Ahuja, Thomas Mroz, Wellington Hsu, James Harrop
This focus issue highlights state-of-the-art techniques, equipment, and practices in the modern era of spine surgery while providing a glimpse into the next generation of patient care. A broad range of topics are presented to cover the full spectrum of the field. Degenerative diseases are discussed in a series of 3 articles on (1) pathophysiology, management, and surgical approaches to degenerative cervical myelopathy; (2) novel approaches to degenerative thoracolumbar disease (eg, interspinous process spacers, minimally invasive/endoscopic approaches); and (3) animal models and emerging therapeutics in degenerative disk disease...
March 1, 2017: Neurosurgery
https://www.readbyqxmd.com/read/28350849/science-deserves-to-be-judged-by-its-contents-not-by-its-wrapping-revisiting-seglen-s-work-on-journal-impact-and-research-evaluation
#5
Lin Zhang, Ronald Rousseau, Gunnar Sivertsen
The scientific foundation for the criticism on the use of the Journal Impact Factor (JIF) in evaluations of individual researchers and their publications was laid between 1989 and 1997 in a series of articles by Per O. Seglen. His basic work has since influenced initiatives such as the San Francisco Declaration on Research Assessment (DORA), the Leiden Manifesto for research metrics, and The Metric Tide review on the role of metrics in research assessment and management. Seglen studied the publications of only 16 senior biomedical scientists...
2017: PloS One
https://www.readbyqxmd.com/read/28350801/app-psen1-and-psen2-mutations-in-early-onset-alzheimer-disease-a-genetic-screening-study-of-familial-and-sporadic-cases
#6
Hélène-Marie Lanoiselée, Gaël Nicolas, David Wallon, Anne Rovelet-Lecrux, Morgane Lacour, Stéphane Rousseau, Anne-Claire Richard, Florence Pasquier, Adeline Rollin-Sillaire, Olivier Martinaud, Muriel Quillard-Muraine, Vincent de la Sayette, Claire Boutoleau-Bretonniere, Frédérique Etcharry-Bouyx, Valérie Chauviré, Marie Sarazin, Isabelle le Ber, Stéphane Epelbaum, Thérèse Jonveaux, Olivier Rouaud, Mathieu Ceccaldi, Olivier Félician, Olivier Godefroy, Maite Formaglio, Bernard Croisile, Sophie Auriacombe, Ludivine Chamard, Jean-Louis Vincent, Mathilde Sauvée, Cecilia Marelli-Tosi, Audrey Gabelle, Canan Ozsancak, Jérémie Pariente, Claire Paquet, Didier Hannequin, Dominique Campion
BACKGROUND: Amyloid protein precursor (APP), presenilin-1 (PSEN1), and presenilin-2 (PSEN2) mutations cause autosomal dominant forms of early-onset Alzheimer disease (AD-EOAD). Although these genes were identified in the 1990s, variant classification remains a challenge, highlighting the need to colligate mutations from large series. METHODS AND FINDINGS: We report here a novel update (2012-2016) of the genetic screening of the large AD-EOAD series ascertained across 28 French hospitals from 1993 onwards, bringing the total number of families with identified mutations to n = 170...
March 2017: PLoS Medicine
https://www.readbyqxmd.com/read/28350800/neural-correlates-of-facial-expression-processing-during-a-detection-task-an-erp-study
#7
Luxi Sun, Jie Ren, Weijie He
Given finite attentional resources, how emotional aspects of stimuli are processed automatically is controversial. Present study examined the time-course for automatic processing of facial expression by assessing N170, and late positive potentials (LPPs) of event-related potentials (ERPs) using a modified rapid serial visual presentation (RSVP) paradigm. Observers were required to confirm a certain house image and to detect whether a face image was presented at the end of a series of pictures. There were no significant main effects on emotional type for P1 amplitudes, whereas happy and fearful expressions elicited larger N170 amplitudes than neutral expressions...
2017: PloS One
https://www.readbyqxmd.com/read/28350770/commentary-on-gait-training-with-visual-feedback-and-proprioceptive-input-to-reduce-gait-asymmetry-in-adults-with-cerebral-palsy-a-case-series
#8
Connie C Johnson, Mary Beth A Osborne
No abstract text is available yet for this article.
April 2017: Pediatric Physical Therapy
https://www.readbyqxmd.com/read/28350769/gait-training-with-visual-feedback-and-proprioceptive-input-to-reduce-gait-asymmetry-in-adults-with-cerebral-palsy-a-case-series
#9
Ilana Levin, Michael D Lewek, Jeff Feasel, Deborah E Thorpe
PURPOSE: The purpose of this case series was to investigate the feasibility of using visual feedback on gait asymmetry during gait retraining and whether this leads to reduced asymmetry, improvement in gait speed, cost of walking, and dynamic balance in ambulant adults with cerebral palsy (CP). METHODS: Five adults with CP, who were ambulatory and had step length or stance time asymmetry, trained for 18 sessions on a split-belt treadmill with concurrent visual feedback from a virtual environment...
April 2017: Pediatric Physical Therapy
https://www.readbyqxmd.com/read/28350654/a-prospective-randomized-trial-of-the-efficacy-of-fibrin-glue-triamcinolone-acetonide-and-quilting-sutures-in-seroma-prevention-after-latissimus-dorsi-breast-reconstruction
#10
Alexandra M Hart, Clarie Duggal, Ximena Pinell-White, Albert Losken
BACKGROUND: Donor-site seroma is the most common complication following latissimus dorsi flap breast reconstruction. Various agents and techniques have attempted to minimize seroma formation. The purpose of this study was to compare the efficacy of different products and quilting sutures at seroma prevention. METHODS: This is a single-center, double-blinded, randomized, controlled trial of a consecutive series of breast cancer patients (n = 96) undergoing latissimus dorsi flap reconstruction performed by a single surgeon...
April 2017: Plastic and Reconstructive Surgery
https://www.readbyqxmd.com/read/28350547/assessment-of-vectorial-total-variation-penalties-on-realistic-dual-energy-ct-data
#11
David S Rigie, Adrian A Sanchez, Patrick J La Rivière
Vectorial extensions of total variation have recently been developed for regularizing the reconstruction and denoising of multi-channel images, such as those arising in spectral computed tomography. Early studies have focused mainly on simulated, piecewise-constant images whose structure may favor total-variation penalties. In the current manuscript, we apply vectorial total variation to real dual-energy CT data of a whole turkey in order to determine if the same benefits can be observed in more complex images with anatomically realistic textures...
April 21, 2017: Physics in Medicine and Biology
https://www.readbyqxmd.com/read/28350541/computational-hybrid-anthropometric-paediatric-phantom-library-for-internal-radiation-dosimetry
#12
Tianwu Xie, Niels Kuster, Habib Zaidi
Hybrid computational phantoms combine voxel-based and simplified equation-based modelling approaches to provide unique advantages and more realism for the construction of anthropomorphic models. In this work, a methodology and C++ code are developed to generate hybrid computational phantoms covering statistical distributions of body morphometry in the paediatric population. The paediatric phantoms of the Virtual Population Series (IT'IS Foundation, Switzerland) were modified to match target anthropometric parameters, including body mass, body length, standing height and sitting height/stature ratio, determined from reference databases of the National Centre for Health Statistics and the National Health and Nutrition Examination Survey...
April 21, 2017: Physics in Medicine and Biology
https://www.readbyqxmd.com/read/28350497/clines-arc-through-multivariate-morphospace
#13
Brian K Lohman, Daniel Berner, Daniel I Bolnick
Evolutionary biologists typically represent clines as spatial gradients in a univariate character (or a principal-component axis) whose mean changes as a function of location along a transect spanning an environmental gradient or ecotone. This univariate approach may obscure the multivariate nature of phenotypic evolution across a landscape. Clines might instead be plotted as a series of vectors in multidimensional morphospace, connecting sequential geographic sites. We present a model showing that clines may trace nonlinear paths that arc through morphospace rather than elongating along a single major trajectory...
April 2017: American Naturalist
https://www.readbyqxmd.com/read/28350489/redescription-and-molecular-assessment-of-relationships-among-three-species-of-echeneibothrium-rhinebothriidea-echeneibothriidae-parasitizing-the-yellownose-skate-dipturus-chilensis-in-chile
#14
Veronica M Bueno, Janine N Caira
Much progress has recently been made towards revising the taxonomic assignments of genera originally classified in the polyphyletic "Tetraphyllidea". Many of these genera, including Echeneibothrium van Beneden, 1850, were accommodated in the order Rhinebothriidea. However, beyond this larger taxonomic action, little work has been conducted on this genus over the last 50 yrs. As a consequence, the criteria employed for characterizing species of Echeneibothrium have lagged behind those typically employed in more modern descriptions of elasmobranch-hosted cestode taxa...
March 10, 2017: Journal of Parasitology
https://www.readbyqxmd.com/read/28350465/3-5-diarylimidazo-1-2-a-pyridines-as-highly-color-tunable-fluorophores
#15
Ju Young Lee, Jae Yul Shim, Hong Ki Kim, Donguk Ko, Mu-Hyun Baik, Eun Jeong Yoo
A new protocol for the synthesis of color-tunable fluorescent 3,5-diarylimidazo[1,2-a]pyridines has been achieved via palladium-catalyzed C-H amination of pyridinium zwitterions. Based on experimental results and computational analysis, we extracted a high correlation of photophysical properties with the theoretical concept and predicted emission wavelengths of 3,5-diarylimidazo[1,2-a]pyridines. The emission wavelengths of imidazo[1,2-a]pyridines increases as a function of the electron-withdrawing nature of the substituent on the C5-aryl group of imidazo[1,2-a]pyridine, as a result of inductive effects on the LUMO levels...
March 28, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28350448/mechanism-exploration-of-ion-transport-in-nanocomposite-cation-exchange-membranes
#16
Xin Tong, Bopeng Zhang, Yilin Fan, Yongsheng Chen
The origin of property enhancement of nanocomposite ion exchange membranes (IEMs) is far from being fully understood. By combining experimental work and computational modeling analysis, we could determine the influence of nanomaterials on the ion transport properties of nanocomposite cation exchange membranes (CEMs). We synthesized and characterized a series of nanocomposite CEMs by using SPPO as polymer materials and silica nanoparticles (NPs) (unsulfonated or sulfonated) as nanomaterials. We found that with the increase of NP loading, measured CEM permselectivity and swelling degree first increased and then decreased...
March 28, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28350434/stepwise-synthesis-of-metal-organic-frameworks
#17
Mathieu Bosch, Shuai Yuan, William Rutledge, Hong-Cai Zhou
Metal-organic frameworks (MOFs) are a category of porous materials that offer unparalleled control over their surface areas (demonstrated as higher than for any other material), pore characteristics, and functionalization. This allows them to be customized for exceptional performance in a wide variety of applications, most commonly including gas storage and separation, drug delivery, luminescence, or heterogeneous catalysis. In order to optimize biomimicry, controlled separations and storage of small molecules, and detailed testing of structure-property relationships, one major goal of MOF research is "rational design" or "pore engineering", or precise control of the placement of multiple functional groups in pores of chosen sizes and shapes...
March 28, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28346964/lipoprotein-a-as-a-risk-factor-for-venous-thromboembolism-a-systematic-review-and-meta-analysis-of-the-literature
#18
Francesco Dentali, Vera Gessi, Rossella Marcucci, Monica Gianni, Anna Maria Grandi, Massimo Franchini
Elevated plasma levels of lipoprotein(a) (Lp(a)) are associated with increased cardiovascular risk in several clinical studies. However, there is a lack of data supporting a positive association between elevated Lp(a) levels and venous thromboembolism (VTE). Thus, we conducted a systematic review of the literature to better clarify its role as a risk factor for VTE. Medline and the Embase (up to May 2015) electronic databases were used to identify potentially eligible studies. Studies measuring Lp(a) values in adult patients with deep vein thrombosis and/or pulmonary embolism and in a population of patients without a VTE were selected...
March 27, 2017: Seminars in Thrombosis and Hemostasis
https://www.readbyqxmd.com/read/28346958/-role-of-laser-resection-in-pulmonary-metastasectomy
#19
S Macherey, F Doerr, T Wahlers, K Hekmat
Objectives This review presents laser resection as treatment option in pulmonary metastasectomy and summarizes the current evidence. Moreover, it includes the comparison of laser resection and common techniques used in lung metastasectomy. Methods We performed a systematic literature research in Medline and the Cochrane library to detect case series and even randomized trials. All included studies underwent qualitative analysis. Results Laser metastasectomy is a safe procedure. Data regarding relevant clinical end points as hospitalization, duration of chest tube drainage and long-term survival are heterogeneous and still controversial...
March 27, 2017: Pneumologie
https://www.readbyqxmd.com/read/28346956/early-nephrectomy-in-unilateral-multicystic-dysplastic-kidney-in-children-cures-hypertension-early-an-observation
#20
Basant Kumar, Vijai Datta Upadhyaya, Manish Kumar Gupta, Laxmi Kant Bharti, Ram Nawal Rao, Sheo Kumar
Objective Surgery is still indicated as the treatment of choice in subset of patients with unilateral multicystic dysplastic kidney (UMCDK) because of its potential complications and malignant change. The purpose of this study is to present our observation that early nephrectomy may cure hypertension early in children with UMCDK and review the literature. Materials and Methods We report here four children (two males and two females) with antenatally diagnosed UMCDK with hypertension, treated in the past 4 years...
March 27, 2017: European Journal of Pediatric Surgery
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