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https://www.readbyqxmd.com/read/29155156/allicin-functionalized-locust-bean-gum-nanoparticles-for-improved-therapeutic-efficacy-an-in-silico-in-vitro-and-in-vivo-approach
#1
R S Soumya, S Sherin, K G Raghu, Annie Abraham
The field of nanotechnology has overgrown over the past few years and has even ventured into the field of medicine. The aim of the present study is to develop a novel allicin functionalized locust bean gum nanoparticle using the nanoprecipitation technique. The synthesized nanoparticles were characterized by dynamic light scattering, scanning electron microscopy and transmission electron microscopy. The characterization study revealed the nanoscale structure (∼100nm) of the prepared particles. In silico toxicology analysis were carried out to assess the drug-like properties and virtual toxicity of allicin...
November 15, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29149552/predicting-nano-bio-interactions-by-integrating-nanoparticle-libraries-and-quantitative-nanostructure-activity-relationship-modeling
#2
Wenyi Wang, Alexander Sedykh, Hainan Sun, Linlin Zhao, Daniel P Russo, Hongyu Zhou, Bing Yan, Hao Zhu
The discovery of biocompatible or bioactive nanoparticles for medicinal applications is an expensive and time-consuming process that may be significantly facilitated by incorporating more rational approaches combining both experimental and computational methods. However, it is currently hindered by two limitations: 1) the lack of high quality comprehensive data for computational modeling, and 2) the lack of an effective modeling method for the complex nanomaterial structures. In this study, we tackled both issues by first synthesizing a large library of nanoparticles and obtained comprehensive data on their characterizations and bioactivities...
November 17, 2017: ACS Nano
https://www.readbyqxmd.com/read/29147652/identification-of-potent-chloride-intracellular-channel-protein-1-inhibitors-from-traditional-chinese-medicine-through-structure-based-virtual-screening-and-molecular-dynamics-analysis
#3
Wei Wang, Minghui Wan, Dongjiang Liao, Guilin Peng, Xin Xu, Weiqiang Yin, Guixin Guo, Funeng Jiang, Weide Zhong, Jianxing He
Chloride intracellular channel 1 (CLIC1) is involved in the development of most aggressive human tumors, including gastric, colon, lung, liver, and glioblastoma cancers. It has become an attractive new therapeutic target for several types of cancer. In this work, we aim to identify natural products as potent CLIC1 inhibitors from Traditional Chinese Medicine (TCM) database using structure-based virtual screening and molecular dynamics (MD) simulation. First, structure-based docking was employed to screen the refined TCM database and the top 500 TCM compounds were obtained and reranked by X-Score...
2017: BioMed Research International
https://www.readbyqxmd.com/read/29140483/integrative-whole-person-oncology-care-in-the-uk
#4
Catherine Zollman, Axel Walther, Helen E Seers, Rachel C Jolliffe, Marie J Polley
The term "whole-person cancer care"-an approach that addresses the needs of the person as well as treating the disease-is more widely understood in the United Kingdom than its synonym "integrative oncology." The National Health Service (NHS) provides free access to care for all, which makes it harder to prioritize NHS funding of whole-person medicine, where interventions may be multimodal and lacking in cost-effectiveness data. Despite this, around 30% of cancer patients are known to use some form of complementary or alternative medicine (CAM)...
November 1, 2017: Journal of the National Cancer Institute. Monographs
https://www.readbyqxmd.com/read/29139263/-next-generation-sequencing-and-transcriptome-analysis-of-root-bark-from-paeonia-suffruticosa-cv-feng-dan
#5
Dong-Mei Xie, Nian-Jun Yu, Lu-Qi Huang, Dai-Yin Peng, Cong-Bin Liu, Yue-Jian Zhu, Hao Huang
Moutan Cortex is an important traditional Chinese medicine, "Fengdan Pi" was known as Dao-di herbs from the root bark of Paeonia suffruticosa cv. Feng Dan for its extracted various active components. However, the genetic basis for their activity is virtually unknown. The transcriptome of the root bark from "Fengdan" was sequenced using the Illumina HiSeq 4000 sequencing platform. The clean reads were then de novo assembled into 72 997 unigenes. Among them, the number of unigenes which could been annotated by dataset Nr and GO was 41 139 and 34 592...
August 2017: Zhongguo Zhong Yao za Zhi, Zhongguo Zhongyao Zazhi, China Journal of Chinese Materia Medica
https://www.readbyqxmd.com/read/29125510/regenerative-medicine-and-spina-bifida-recent-developments-in-induced-fetal-regeneration
#6
Dario O Fauza
Regenerative medicine as it applies to spina bifida is a multi-pronged endeavor involving spinal cord repair, tissue engineering and fetal regeneration, all of which can mutually overlap to variable extents. The efforts involving spinal cord repair, whether they be cell-based or not, are virtually indistinguishable from the enormous body of work related to spinal cord recovery after traumatic injury. Tissue engineering, on the other hand, can involve a variety of structures besides constructs used for covering the spina bifida defect, for example the urinary bladder, bone, muscle and skin...
October 20, 2017: Journal of Pediatric Rehabilitation Medicine
https://www.readbyqxmd.com/read/29119187/reaching-for-the-limits-in-continuous-flow-dielectrophoretic-dna-analysis
#7
Sarah Täuber, Lena Kunze, Oleg Grauberger, Armin Grundmann, Martina Viefhues
The efficient purification and analysis of topological DNA variants is mandatory for many state-of-the-art molecular medicine technologies, like gene- and cancer-therapy as well as plasmid vaccination. In this work, we exploit dielectrophoresis (DEP) for a fast and efficient continuous-flow separation and analysis that goes beyond the standard methods of gel electrophoresis and capillary electrophoresis. The aim of this work was to reach for the limits in dielectrophoretic analysis of DNA regarding the size resolution and the topological conformation...
November 9, 2017: Analyst
https://www.readbyqxmd.com/read/29115449/the-rational-search-for-pde10a-inhibitors-from-sophora%C3%A2-flavescens-roots-using-pharmacophore%C3%A2-and-docking%C3%A2-based-virtual-screening
#8
Han-Tian Fan, Jun-Fang Guo, Yu-Xin Zhang, Yu-Xi Gu, Zhong-Qi Ning, Yan-Jiang Qiao, Xing Wang
Phosphodiesterase 10A (PDE10A) has been confirmed to be an important target for the treatment of central nervous system (CNS) disorders. The purpose of the present study was to identify PDE10A inhibitors from herbs used in traditional Chinese medicine. Pharmacophore and molecular docking techniques were used to virtually screen the chemical molecule database of Sophora flavescens, a well‑known Chinese herb that has been used for improving mental health and regulating the CNS. The pharmacophore model generated recognized the common functional groups of known PDE10A inhibitors...
October 25, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/29114433/scientific-basis-of-dentistry
#9
REVIEW
Yegane Guven
Technological and scientific innovations have increased exponentially over the past years in the dentistry profession. In this article, these developments are evaluated both in terms of clinical practice and their place in the educational program. The effect of the biologic and digital revolutions on dental education and daily clinical practice are also reviewed. Biomimetics, personalized dental medicine regenerative dentistry, nanotechnology, high-end simulations providing virtual reality, genomic information, and stem cell studies will gain more importance in the coming years, moving dentistry to a different dimension...
2017: J Istanb Univ Fac Dent
https://www.readbyqxmd.com/read/29108848/pharmacokinetics-pharmacodynamics-and-safety-profiling-of-is01957-a-preclinical-candidate-possessing-dual-activity-against-inflammation-and-nociception
#10
Anjna Sharma, Asmita Magotra, Ashish Dogra, Santosh Kumar Rath, Sheikh Rayees, Priya Wazir, Sadhana Sharma, Payare Lal Sangwan, Surjeet Singh, Gurdarshan Singh, Utpal Nandi
In spite of unprecedented advances in modern systems of medicine, there is necessity for exploration of traditional plant based secondary metabolites or their semisynthetic derivatives which may results in better therapeutic activity, low toxicity and favourable pharmacokinetics. In this context, computational model based predictions aid medicinal chemists in rational development of new chemical entity having unfavourable pharmacokinetic properties which is a major hurdle for its further development as a drug molecule...
November 3, 2017: Regulatory Toxicology and Pharmacology: RTP
https://www.readbyqxmd.com/read/29104774/proteasomes-in-protein-homeostasis-of-pluripotent-stem-cells
#11
A V Selenina, A S Tsimokha, A N Tomilin
Embryonic stem cells (ESCs) and induced pluripotent stem cells (iPSCs) are subjects of high interest not only in basic research, but also in various applied fields, particularly, in regenerative medicine. Despite the tremendous interest to these cells, the molecular mechanisms that control protein homeostasis in these cells remain largely unknown. The ubiquitin-proteasome system (UPS) acts via post-translational protein modifications and protein degradation and, therefore, is involved in the control of virtually all cellular processes: cell cycle, self-renewal, signal transduction, transcription, translation, oxidative stress, immune response, apoptosis, etc...
July 2017: Acta Naturae
https://www.readbyqxmd.com/read/29097355/a-clinical-reasoning-tool-for-virtual-patients-design-based-research-study
#12
Inga Hege, Andrzej A Kononowicz, Martin Adler
BACKGROUND: Clinical reasoning is a fundamental process medical students have to learn during and after medical school. Virtual patients (VP) are a technology-enhanced learning method to teach clinical reasoning. However, VP systems do not exploit their full potential concerning the clinical reasoning process; for example, most systems focus on the outcome and less on the process of clinical reasoning. OBJECTIVES: Keeping our concept grounded in a former qualitative study, we aimed to design and implement a tool to enhance VPs with activities and feedback, which specifically foster the acquisition of clinical reasoning skills...
November 2, 2017: JMIR Medical Education
https://www.readbyqxmd.com/read/29090556/-docking-based-virtual-screening-of-mek1-inhibitors-from-chinese-herbs
#13
Yong-Liang Li, Zhi-Yun Du, Jie Zheng
The hyperphosphorylation of MEK1(mitogen-activated protein kinase kinase 1) is one of the causesfor melanoma. It is important to discover a potential medicine for melanoma through virtual screening of chemical composition of Chinese material medica on MEK1. In this study, a docking pocket model and Flex Search model were built by using a MEK1 crystal structure, the similarity between connector conformation and gametophyte conformation in the crystal structure was 0.784.There was a linear relationship between total score and pIC₅₀on MEK1 inhibitors, with R²=0...
May 2017: Zhongguo Zhong Yao za Zhi, Zhongguo Zhongyao Zazhi, China Journal of Chinese Materia Medica
https://www.readbyqxmd.com/read/29083461/development-of-a-virtual-crew-resource-management-training-program-to-improve-communication
#14
Dana Tschannen
Crew Resource Management (CRM), a method focused on the management of human error and risk reduction, has shown promise in reducing communication failure in health care. The purpose of this project was to develop a virtual training program in CRM principles of effective leadership and followership, and evaluate the applicability to nurses working in the hospital setting. The intervention included the development of a virtual CRM training program consisting of a self-learning module and virtual simulation. Beta testing of the module was conducted by six nurses, followed by an evaluation of the training program by nurses (n = 5) in a general medicine department...
November 1, 2017: Journal of Continuing Education in Nursing
https://www.readbyqxmd.com/read/29081262/virtual-identification-of-novel-ppar%C3%AE-%C3%AE-dual-agonists-by-scaffold-hopping-of-saroglitazar
#15
Wen-Qing Jia, Zhi Jing, Xin Liu, Xiao-Yan Feng, Ya-Ya Liu, Shu-Qing Wang, Wei-Ren Xu, Jian-Wen Liu, Xian-Chao Cheng
The thiazolidinedione class PPARγ agonists as antidiabetic agents are restricted in clinical use because of the side effects such as edema, weight gain, and heart failure. The single and selective agonism of PPARγ is the main cause of side effects. The multi-target cooperative PPARα/γ dual agonist development is a hot topic in the antidiabetic medicinal chemistry field. Saroglitazar is the first approved PPARα/γ dual agonist, available in India for the treatment of diabetic dyslipidemia. It got rid of these side effects...
October 28, 2017: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/29074231/the-engage-study-integrating-neuroimaging-virtual-reality-and-smartphone-sensing-to-understand-self-regulation-for-managing-depression-and-obesity-in-a-precision-medicine-model
#16
Leanne M Williams, Adam Pines, Andrea N Goldstein-Piekarski, Lisa G Rosas, Monica Kullar, Matthew D Sacchet, Olivier Gevaert, Jeremy Bailenson, Philip W Lavori, Paul Dagum, Brian Wandell, Carlos Correa, Walter Greenleaf, Trisha Suppes, L Michael Perry, Joshua M Smyth, Megan A Lewis, Elizabeth M Venditti, Mark Snowden, Janine M Simmons, Jun Ma
Precision medicine models for personalizing achieving sustained behavior change are largely outside of current clinical practice. Yet, changing self-regulatory behaviors is fundamental to the self-management of complex lifestyle-related chronic conditions such as depression and obesity - two top contributors to the global burden of disease and disability. To optimize treatments and address these burdens, behavior change and self-regulation must be better understood in relation to their neurobiological underpinnings...
October 7, 2017: Behaviour Research and Therapy
https://www.readbyqxmd.com/read/29071077/assessing-the-use-of-breathesmart%C3%A2-mobile-technology-in-adult-patients-with-asthma-a-remote-observational-study
#17
Emilie Melvin, Anna Cushing, Anne Tam, Ruri Kitada, Melissa Manice
INTRODUCTION: Non-adherence to asthma daily controller medications is a common problem, reported to be responsible for 60% of asthma-related hospitalisations. The mean level of adherence for asthma medications is estimated to be as low as 22%. Therefore, objective measurements of adherence to medicine are necessary. This virtual observational study is designed to measure the usability of an electronic monitoring device platform that measures adherence. Understanding how patients use the BreatheSmart mobile technology at home is essential to assess its feasibility as a solution to improve medication adherence...
2017: BMJ Open Respiratory Research
https://www.readbyqxmd.com/read/29066152/extracellular-vesicles-are-integral-and-functional-components-of-the-extracellular-matrix
#18
REVIEW
Kirsi Rilla, Anne-Mari Mustonen, Uma Thanigai Arasu, Kai Härkönen, Johanna Matilainen, Petteri Nieminen
Extracellular vesicles (EV) are small plasma membrane-derived particles released into the extracellular space by virtually all cell types. Recently, EV have received increased interest because of their capability to carry nucleic acids, proteins, lipids and signaling molecules and to transfer their cargo into the target cells. Less attention has been paid to their role in modifying the composition of the extracellular matrix (ECM), either directly or indirectly via regulating the ability of target cells to synthesize or degrade matrix molecules...
October 21, 2017: Matrix Biology: Journal of the International Society for Matrix Biology
https://www.readbyqxmd.com/read/29045276/impact-of-required-versus-self-directed-use-of-virtual-patient-cases-on-clerkship-performance-a-mixed-methods-study
#19
Sarang Kim, Laura R Willett, Wilbur J Pan, Joyce Afran, John A Walker, Judy A Shea
PURPOSE: To explore how students use and benefit from virtual patient cases (VPCs). METHOD: In academic years 2013-2014 and 2014-2015, cohorts of students in pediatrics (Peds), family medicine (FM), and internal medicine (IM) clerkships were allocated to either core required use (CRU) or self-directed use (SU) of MedU VPCs. Outcomes included number and time of case review, student perception of learning from VPCs, National Board of Medical Examiners (NBME) subject examination scores, and summative clinical ratings for medical knowledge and differential diagnoses/problem solving...
October 17, 2017: Academic Medicine: Journal of the Association of American Medical Colleges
https://www.readbyqxmd.com/read/29039378/dna-encoding-training-using-3d-gesture-interaction
#20
Stelian Nicola, Flavia-Laura Handrea, Mihaela Crişan-Vida, Lăcrămioara Stoicu-Tivadar
The work described in this paper summarizes the development process and presents the results of a human genetics training application, studying the 20 amino acids formed by the combination of the 3 nucleotides of DNA targeting mainly medical and bioinformatics students. Currently, the domain applications using recognized human gestures of the Leap Motion sensor are used in molecules controlling and learning from Mendeleev table or in visualizing the animated reactions of specific molecules with water. The novelty in the current application consists in using the Leap Motion sensor creating new gestures for the application control and creating a tag based algorithm corresponding to each amino acid, depending on the position in the 3D virtual space of the 4 nucleotides of DNA and their type...
2017: Studies in Health Technology and Informatics
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