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https://www.readbyqxmd.com/read/28513854/verification-of-dose-profiles-generated-by-the-convolution-algorithm-of-the-gamma-knife-%C3%A2-radiosurgery-planning-system
#1
Hyun-Tai Chung, Jeong-Hoon Park, Kook Jin Chun
PURPOSE: A convolution algorithm that takes into account electron-density inhomogeneity was recently introduced to calculate dose distributions for the Gamma Knife (GK) Perfexion(™) treatment planning program. The accuracies of the dose distributions computed using the convolution method were assessed using an anthropomorphic phantom and film dosimetry. METHODS: Absorbed-dose distributions inside a phantom (CIRS Radiosurgery Head Phantom, Model 605) were calculated using the convolution method of the GK treatment-planning software (Leksell Gamma Plan(®) version 10...
May 17, 2017: Medical Physics
https://www.readbyqxmd.com/read/28507234/modelling-far-field-pacing-for-terminating-spiral-waves-pinned-to-ischaemic-heterogeneities-in-cardiac-tissue
#2
E Boccia, S Luther, U Parlitz
In cardiac tissue, electrical spiral waves pinned to a heterogeneity can be unpinned (and eventually terminated) using electric far field pulses and recruiting the heterogeneity as a virtual electrode. While for isotropic media the process of unpinning is much better understood, the case of an anisotropic substrate with different conductivities in different directions still needs intensive investigation. To study the impact of anisotropy on the unpinning process, we present numerical simulations based on the bidomain formulation of the phase I of the Luo and Rudy action potential model modified due to the occurrence of acute myocardial ischaemia...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507230/computational-design-of-treatment-strategies-for-proactive-therapy-on-atopic-dermatitis-using-optimal-control-theory
#3
Panayiotis Christodoulides, Yoshito Hirata, Elisa Domínguez-Hüttinger, Simon G Danby, Michael J Cork, Hywel C Williams, Kazuyuki Aihara, Reiko J Tanaka
Atopic dermatitis (AD) is a common chronic skin disease characterized by recurrent skin inflammation and a weak skin barrier, and is known to be a precursor to other allergic diseases such as asthma. AD affects up to 25% of children worldwide and the incidence continues to rise. There is still uncertainty about the optimal treatment strategy in terms of choice of treatment, potency, duration and frequency. This study aims to develop a computational method to design optimal treatment strategies for the clinically recommended 'proactive therapy' for AD...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28485203/expert-panel-recommendations-for-the-identification-and-management-of-hyperkalemia-and-role-of-patiromer-in-patients-with-chronic-kidney-disease-and-heart-failure
#4
Zubaid Rafique, Matthew R Weir, Macaulay Onuigbo, Bertram Pitt, Richard Lafayette, Javed Butler, Maria Lopes, Carolyn Farnum, W Frank Peacock
Virtual panel meetings were conducted among 7 physicians, all of whom are independent experts, including 3 nephrologists, 2 cardiologists, and 2 emergency medicine physicians (the panel). The panel met with the purpose of discussing the current treatment landscape, treatment challenges, economic impact, and gaps in care for patients with hyperkalemia that is associated with heart failure and chronic kidney disease. The stated goal of the panel discussion was to develop practical solutions in the identification and management of hyperkalemia in this patient population...
April 2017: Journal of Managed Care & Specialty Pharmacy
https://www.readbyqxmd.com/read/28474127/conformational-stabilization-of-fox-dna-complex-architecture-to-sensitize-prostate-cancer-chemotherapy
#5
Bin Chen, Huiqiang Wang, Zhun Wu, Bo Duan, Peide Bai, Kaiyan Zhang, Wei Li, Jiaxin Zheng, Jinchun Xing
The forkhead box (FOX) transcription factor is a family of tumor suppressors that negatively regulates the tumorigenesis activity of prostate cancer; stabilization of FOX-DNA complex architecture has been recognized as a new and promising strategy for sensitizing cancer chemotherapy. Here, we described a systematic method that combined in silico analysis and in vitro assay to investigate the intermolecular interaction between FOX DNA-binding domain (DBD) and its cognate DNA partner. The structural and energetic information harvested from the molecular investigation were used to guide high-throughput virtual screening against a structurally diverse, nonredundant library of natural product compounds, aiming at discovery of novel small-molecule medicines that can conformationally stabilize and promote FOX-DNA recognition and interaction...
May 4, 2017: Amino Acids
https://www.readbyqxmd.com/read/28473201/a-strategy-based-on-gas-chromatography-mass-spectrometry-and-virtual-molecular-docking-for-analysis-and-prediction-of-bioactive-composition-in-natural-product-essential-oil
#6
Haiyang Wang, Dongyu Gu, Miao Wang, Hong Guo, Huijuan Wu, Guangliang Tian, Qian Li, Yi Yang, Jing Tian
The discovery of leads from medicinal plants is crucial to drug development. The present study presents a strategy based on GC-MS coupled with molecular docking for analysis, identification and prediction of protein tyrosine phosphatase 1B inhibitors in the essential oil from Himalayan Cedar (HC). The essential oil with IC50 value of 120.71±0.26μg/mL exhibited potential activity against protein tyrosine phosphatase 1B (PTP1B) in vitro. After GC-MS analysis, 35 compounds were identified from this oil. The identified compounds were individually docked with PTP1B...
April 15, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28472734/comparative-in-silico-analyses-of-cannabis-sativa-prunella-vulgaris-and-withania-somnifera-compounds-elucidating-the-medicinal-properties-against-rheumatoid-arthritis
#7
Mehreen Zaka, Sheikh Arslan Sehgal, Shagufta Shafique, Bilal Haider Abbasi
From last decade, there has been progressive improvement in computational drug designing. Several diseases are being cured from different plant extracts and products. Rheumatoid arthritis (RA) is the most shared disease among auto-inflammatory diseases. Tumor necrosis factor (TNF)-α is associated with RA pathway and has adverse effects. Extensive literature review showed that plant species under study (Cannabis sativa, Prunella vulgaris and Withania somnifera) possess anti-inflammatory, anti-arthritic and anti-rheumatic properties...
April 19, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28466032/identification-of-new-potent-inhibitors-of-dengue-virus-ns3-protease-from-traditional-chinese-medicine-database
#8
Vivek Dhar Dwivedi, Indra Prasad Tripathi, Shiv Bharadwaj, Aman Chandra Kaushik, Sarad Kumar Mishra
Dengue virus (DENV) has emerged as an increasing fitness problem in the world for which no specialized drug is available. The non-structural protein NS3 protease of DENV has already been recognized as a potential therapeutic target for the discovery and development of novel antiviral agents against DENV infections. In this study, we employed the virtual screening technique to explore the potent inhibitors of DENV NS2B/NS3pro from Traditional Chinese Medicine (TCM) database. Total 200 inhibitors from TCM against DENV NS3pro were screened and only five TCM compounds like eriodictyol 7-O-glucuronide, luteolin 8-C-beta-glucopyranoside, (-)-epicatechin-3-O-gallate, 6-O-trans-p-coumaroylgeniposide and luteolin-7-O-glucoside were selected for further analysis which showed binding energies, -7...
September 2016: Virusdisease
https://www.readbyqxmd.com/read/28460535/intensity-of-recent-years-in-the-investigation-of-soft-tissue-sarcoma
#9
Jean-Yves Blay
The European Medicines Agency's approval in 2007 of trabectedin for treatment of advanced soft tissue sarcoma (STS) - the first new agent approved in this indication for more than 30 years - coincided with the start of an exciting era in sarcoma research. Over the past 10 years, several other cytotoxic agents and targeted therapies have been approved for use in advanced STS and research efforts continue to intensify. In parallel, the virtual explosion of new evidence has presented its own set of challenges in terms of interpreting the data and understanding how it may apply to individual patients...
May 2, 2017: Future Oncology
https://www.readbyqxmd.com/read/28459453/the-nephila-clavipes-genome-highlights-the-diversity-of-spider-silk-genes-and-their-complex-expression
#10
Paul L Babb, Nicholas F Lahens, Sandra M Correa-Garhwal, David N Nicholson, Eun Ji Kim, John B Hogenesch, Matjaž Kuntner, Linden Higgins, Cheryl Y Hayashi, Ingi Agnarsson, Benjamin F Voight
Spider silks are the toughest known biological materials, yet are lightweight and virtually invisible to the human immune system, and they thus have revolutionary potential for medicine and industry. Spider silks are largely composed of spidroins, a unique family of structural proteins. To investigate spidroin genes systematically, we constructed the first genome of an orb-weaving spider: the golden orb-weaver (Nephila clavipes), which builds large webs using an extensive repertoire of silks with diverse physical properties...
May 1, 2017: Nature Genetics
https://www.readbyqxmd.com/read/28453117/-learning-about-social-determinants-of-health-through-chronicles-using-a-virtual-learning-environment
#11
Sonia Restrepo-Palacio, Jairo Amaya-Guio
Objective: To describe the contributions of a pedagogical strategy based on the construction of chronicles, using a Virtual Learning Environment for training medical students from Universidad de La Sabana on social determinants of health. Methodology: Descriptive study with a qualitative approach. Design and implementation of a Virtual Learning Environment based on the ADDIE instructional model. Results: A Virtual Learning Environment was implemented with an instructional design based on the five phases of the ADDIE model, on the grounds of meaningful learning and social constructivism, and through the narration of chronicles or life stories as a pedagogical strategy...
September 2016: Revista de Salud Pública
https://www.readbyqxmd.com/read/28453004/implant-utilization-and-time-to-prosthetic-rehabilitation-in-conventional-and-advanced-fibular-free-flap-reconstruction-of-the-maxilla-and-mandible
#12
Richelle Chuka, Wael Abdullah, Jana Rieger, Suresh Nayar, Hadi Seikaly, Martin Osswald, Johan Wolfaardt
PURPOSE: Precisely designed jaw reconstruction rehabilitation (JRR) is important to the integrity of the jaw structure and oral functions. Advanced three-dimensional (3D) digital surgical design and simulation (SDS) techniques have the potential to reduce time to reconstructive and dental treatment completion, thereby promoting early functional oral rehabilitation. This study investigated the use of SDS in JRR procedures. MATERIALS AND METHODS: A retrospective chart review was conducted on adult head and neck tumor (HNT) participants who completed JRR treatment with a fibular free flap (FFF) reconstruction...
May 2017: International Journal of Prosthodontics
https://www.readbyqxmd.com/read/28440719/a-case-based-medical-curriculum-for-the-21st-century-the-use-of-innovative-approaches-in-designing-and-developing-a-case-on-mental-health
#13
Athanasios Hassoulas, Elizabeth Forty, Mathew Hoskins, James Walters, Stephen Riley
The introduction of case-based learning (CBL) by the School of Medicine at Cardiff University has encouraged innovation in medical teaching and learning. During years one and two of the modernized MBBCh program, students complete 17 cases as part of the newly developed C21 curriculum that emphasizes a patient-oriented and student-centered approach to learning. The mental health case, which is presented in year 2, incorporates a number of novel teaching resources that aim to enhance the students' learning experience and to further reinforce the patient-oriented and community-based philosophy of C21...
May 2017: Medical Teacher
https://www.readbyqxmd.com/read/28436209/medication-prior-authorization-in-pediatric-hematology-and-oncology
#14
David S Dickens, Brad H Pollock
BACKGROUND: Medication prior authorization (PA) is a commonly occurring requirement, particularly for medications used for rare conditions. Based on standard definitions, cancer and many blood disorders affecting children are rare. The study aims were to describe the relative frequency of PA requests and their association with payers and medications in order to identify opportunities to improve system efficiency. PROCEDURE: Requests for medication PA were logged prospectively for patients seen at a single institution over a 7-month period...
June 2017: Pediatric Blood & Cancer
https://www.readbyqxmd.com/read/28425478/data-intensive-genome-level-analysis-for-identifying-novel-non-toxic-drug-targets-for-multi-drug-resistant-mycobacterium-tuberculosis
#15
Divneet Kaur, Rintu Kutum, Debasis Dash, Samir K Brahmachari
We report the construction of a novel Systems Biology based virtual drug discovery model for the prediction of non-toxic metabolic targets in Mycobacterium tuberculosis (Mtb). This is based on a data-intensive genome level analysis and the principle of conservation of the evolutionarily important genes. In the 1623 sequenced Mtb strains, 890 metabolic genes identified through a systems approach in Mtb were evaluated for non-synonymous mutations. The 33 genes showed none or one variation in the entire 1623 strains, including 1084 Russian MDR strains...
April 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28410120/snp_tata_comparator-genomewide-landmarks-for-preventive-personalized-medicine
#16
Mikhail Ponomarenko, Dmitry Rasskazov, Irina Chadaeva, Ekaterina Sharypova, Petr Ponomarenko, Olga Arkova, Elena Kashina, Nikita Ivanisenko, Dmitry Zhechev, Ludmila Savinkova, Nikolay Kolchanov
Year after year, conditions, quality, and duration of human lives have been improving due to the progress of science, technology, education, and medicine, which however has a downside. Owing to improvement in children's nutrition, developmental acceleration occurs that imbalances a child's system. Because of virtual worlds of the Internet, social experience of teenagers expands and clashes with puberty of adolescents. Due to the comfort of cities, urbanization emerges and causes stress to adults because of artificial light, noise, pollution, violations of personal space, and family disruption...
June 1, 2017: Frontiers in Bioscience (Scholar Edition)
https://www.readbyqxmd.com/read/28408230/discovery-of-lrrk2-inhibitors-by-using-an-ensemble-of-virtual-screening-methods
#17
Emanuela Gancia, Marcel De Groot, Brenda Burton, David E Clark
In this paper, we present the results of a ligand- and structure-based virtual screen targeting LRRK2, a kinase that has been implicated in Parkinson's disease. For the ligand-based virtual screen, the structures of 12 competitor compounds were used as queries for a variety of 2D and 3D searches. The structure-based virtual screen relied on homology models of LRRK2, as no X-ray structure is currently available in the public domain. From the virtual screening, 662 compounds were purchased, of which 35 showed IC50 values below 10μM in wild-type and/or mutant LRRK2 (a hit rate of 5...
April 2, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28404720/shared-canadian-curriculum-in-family-medicine-sharc-fm-creating-a-national-consensus-on-relevant-and-practical-training-for-medical-students
#18
David A Keegan, Ian Scott, Michael Sylvester, Amy Tan, Kathleen Horrey, W Wayne Weston
PROBLEM ADDRESSED: In 2006, leaders of undergraduate family medicine education programs faced a series of increasing curriculum mandates in the context of limited time and financial resources. Additionally, it became apparent that a hidden curriculum against family medicine as a career choice was active in medical schools. OBJECTIVE OF PROGRAM: The Shared Canadian Curriculum in Family Medicine was developed by the Canadian Undergraduate Family Medicine Education Directors and supported by the College of Family Physicians of Canada as a national collaborative project to support medical student training in family medicine clerkship...
April 2017: Canadian Family Physician Médecin de Famille Canadien
https://www.readbyqxmd.com/read/28398502/pygold-a-python-based-api-for-docking-based-virtual-screening-workflow-generation
#19
Hitesh Patel, Tobias Brinkjost, Oliver Koch
Motivation: Molecular docking is one of the successful approaches in structure based discovery and development of bioactive molecules in chemical biology and medicinal chemistry. Due to the huge amount of computational time that is still required, docking is often the last step in a virtual screening approach. Such screenings are set as workflows spanned over many steps, each aiming at different filtering task. These workflows can be automatized in large parts using python based toolkits except for docking using the docking software GOLD...
April 7, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28393677/in-silico-high-throughput-virtual-screening-and-molecular-dynamics-simulation-study-to-identify-inhibitor-for-adeabc-efflux-pump-of-acinetobacter-baumannii
#20
Privita Verma, Monalisa Tiwari, Vishvanath Tiwari
Emergence of multi-drug resistant strains of Acinetobacter baumannii has caused significant health problems and is responsible for high morbidity and mortality. Overexpression of AdeABC efflux system is one of the major mechanisms. In this study, we have focused on overcoming the drug resistance by identifying inhibitors that can effectively bind and inhibit integral membrane protein, AdeB of this efflux pump. We performed homology modeling to generate structure of AdeB using MODELLER v9.16 followed by model refinement using 3D-Refine tool and validated using PSVS, ProsaWeb, ERRAT etc...
April 10, 2017: Journal of Biomolecular Structure & Dynamics
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