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https://www.readbyqxmd.com/read/28441481/best-practices-of-computer-aided-drug-discovery-cadd-lessons-learned-from-the-development-of-a-preclinical-candidate-for-prostate-cancer-with-a-new-mechanism-of-action
#1
Fuqiang Ban, Kush Dalal, Huifang Li, Eric LeBlanc, Paul S Rennie, Artem Cherkasov
Small-molecule drug design is a complex and iterative decision-making process relying on pre-existing knowledge and driven by experimental data. Low molecular weight chemicals represent an attractive therapeutic option as they are readily accessible to organic synthesis and can easily be characterized.1 Their potency, as well as pharmacokinetic and pharmacodynamic properties can be systematically and rationally investigated, and ultimately optimized via expert science behind medicinal chemistry and methods of computer-aided drug design (CADD)...
April 25, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28436880/a-human-robot-co-manipulation-approach-based-on-human-sensorimotor-information
#2
Luka Peternel, Nikos Tsagarakis, Arash Ajoudani
This paper aims to improve the interaction and coordination between the human and the robot in cooperative execution of complex, powerful and dynamic tasks. We propose a novel approach that integrates online information about the human motor function and manipulability properties into the hybrid controller of the assistive robot. Through this human-inthe- loop framework, the robot can adapt to the human motor behaviour and provide the appropriate assistive response in different phases of the cooperative task...
April 17, 2017: IEEE Transactions on Neural Systems and Rehabilitation Engineering
https://www.readbyqxmd.com/read/28431972/mitochondrial-energy-metabolism-of-rat-hippocampus-after-treatment-with-the-antidepressants-desipramine-and-fluoxetine
#3
Roberto Federico Villa, Federica Ferrari, Laura Bagini, Antonella Gorini, Nicoletta Brunello, Fabio Tascedda
Alterations in mitochondrial functions have been hypothesized to participate in the pathogenesis of depression, because brain bioenergetic abnormalities have been detected in depressed patients by neuroimaging in vivo studies. However, this hypothesis is not clearly demonstrated in experimental studies: some suggest that antidepressants are inhibitors of mitochondrial metabolism, while others observe the opposite. In this study, the effects of 21-day treatment with desipramine (15 mg/kg) and fluoxetine (10 mg/kg) were examined on the energy metabolism of rat hippocampus, evaluating the catalytic activity of regulatory enzymes of mitochondrial energy-yielding metabolic pathways...
April 18, 2017: Neuropharmacology
https://www.readbyqxmd.com/read/28426332/buprenorphine-treatment-and-patient-use-of-health-services-after-the-affordable-care-act-in-an-integrated-health-care-system
#4
Cynthia I Campbell, Sujaya Parthasarathy, Kelly C Young-Wolff, Derek D Satre
The Affordable Care Act (ACA) was expected to benefit patients with substance use disorders, including opioid use disorders (OUDs). This study examined buprenorphine use and health services utilization by patients with OUDs pre- and post-ACA in a large health care system. Using electronic health record data, we examined demographic and clinical characteristics (substance use, psychiatric and medical conditions) of two patient cohorts using buprenorphine: those newly enrolled in 2012 ("pre-ACA," N = 204) and in 2014 ("post-ACA," N = 258)...
April 20, 2017: Journal of Psychoactive Drugs
https://www.readbyqxmd.com/read/28411279/characterization-and-interspecies-scaling-of-rhtnf-%C3%AE-pharmacokinetics-with-minimal-physiologically-based-pharmacokinetic-mpbpk-models
#5
Xi Chen, Debra C DuBois, Richard R Almon, William J Jusko
Tumor necrosis factor-α (TNF-α) is a soluble cytokine and target of specific monoclonal antibodies (mAbs) and other biological agents used for the treatment of inflammatory diseases. These biologics exert their pharmacological effects through binding and neutralizing TNF-α, and thus prevent TNF-α from interacting with its cell surface receptors. The magnitude of pharmacological effects is governed not only by the pharmacokinetics of mAbs, but also the kinetic fate of TNF-α. We have examined the pharmacokinetics of rhTNF-α in rats at low doses and quantitatively characterized its pharmacokinetic features with a minimal physiologically-based pharmacokinetic (mPBPK) model...
April 14, 2017: Drug Metabolism and Disposition: the Biological Fate of Chemicals
https://www.readbyqxmd.com/read/28411223/modified-bacteriophage-s16-long-tail-fiber-proteins-for-rapid-and-specific-immobilization-and-detection-of-salmonella-cells
#6
Jenna M Denyes, Matthew Dunne, Stanislava Steiner, Maximilian Mittelviefhaus, Agnes Weiss, Herbert Schmidt, Jochen Klumpp, Martin J Loessner
Bacteriophage-based assays and biosensors rival traditional antibody-based immunoassays for detection of low-level Salmonella contaminations. In this study, we harnessed the binding specificity of the long tail fiber (LTF) from bacteriophage S16 as an affinity molecule for immobilization, enrichment, and detection of Salmonella We demonstrate that paramagnetic beads (MBs) coated with recombinant gp37-gp38 LTF complexes (LTF-MBs) are highly effective tools for rapid affinity magnetic separation and enrichment of Salmonella Within 45 minutes, the LTF-MBs consistently captured over 95% of Salmonella Typhimurium cells from suspensions containing 10-10(5) CFU...
April 14, 2017: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/28410174/pilot-and-feasibility-test-of-a-mobile-health-supported-behavioral-counseling-intervention-for-weight-management-among-breast-cancer-survivors
#7
Lisa M Quintiliani, Devin M Mann, Marissa Puputti, Emily Quinn, Deborah J Bowen
BACKGROUND: Health behavior and weight management interventions for cancer survivors have the potential to prevent future cancer recurrence and improve long-term health; however, their translation can be limited if the intervention is complex and involves high participant burden. Mobile health (mHealth) offers a delivery modality to integrate interventions into daily life routines. OBJECTIVE: The objective of this study was to evaluate the effects of a one-group trial with a pre-post evaluation design on engagement (use and acceptability), physiological (weight), behavioral (diet and physical activity), and other secondary outcomes...
May 9, 2016: JMIR Cancer
https://www.readbyqxmd.com/read/28402687/seatbelt-pre-pretensioner-effect-on-child-sized-dummies-during-run-off-road-events
#8
Isabelle Stockman, Katarina Bohman, Lotta Jakobsson
Objective Run-off road events occur frequently and can result in severe consequences. Several potential injury causing mechanisms can be observed in the diverse types of run-off road events. Real world data shows that different types of environments, such as rough terrain, ditch types and whether multiple events occur, may be important contributing factors to the occupant injury. While countermeasures addressing front seat occupants have been presented, studies on rear seat occupant retention in situations such as run-off road events are lacking...
April 12, 2017: Traffic Injury Prevention
https://www.readbyqxmd.com/read/28402189/going-non-viral-the-sleeping-beauty-transposon-system-breaks-on-through-to-the-clinical-side
#9
Michael Hudecek, Zsuzsanna Izsvák, Sandra Johnen, Matthias Renner, Gabriele Thumann, Zoltán Ivics
Molecular medicine has entered a high-tech age that provides curative treatments of complex genetic diseases through genetically engineered cellular medicinal products. Their clinical implementation requires the ability to stably integrate genetic information through gene transfer vectors in a safe, effective and economically viable manner. The latest generation of Sleeping Beauty (SB) transposon vectors fulfills these requirements, and may overcome limitations associated with viral gene transfer vectors and transient non-viral gene delivery approaches that are prevalent in ongoing pre-clinical and translational research...
April 12, 2017: Critical Reviews in Biochemistry and Molecular Biology
https://www.readbyqxmd.com/read/28401793/developing-a-customized-perfusion-bioreactor-prototype-with-controlled-positional-variability-in-oxygen-partial-pressure-for-bone-and-cartilage-tissue-engineering
#10
Poh Soo Lee, Hagen Eckert, Ricarda Hess, Michael Gelinsky, Derrick Rancourt, Roman Krawetz, Gianaurelio Cuniberti, Dieter Scharnweber
Skeletal development is a multi-step process that involves the complex interplay of multiple cell types at different stages of development. Besides biochemical and physical cues, oxygen tension also plays a pivotal role in influencing cell fate during skeletal development. At physiological conditions, bone cells generally reside in relatively oxygenated environment whereas the chondrocytes reside in hypoxic environment. However, it is technically challenging to achieve such defined, yet diverse oxygen distribution on traditional in vitro cultivation platforms...
April 12, 2017: Tissue Engineering. Part C, Methods
https://www.readbyqxmd.com/read/28396433/molecular-basis-for-the-interaction-between-integrator-subunits-ints9-and-ints11-and-its-functional-importance
#11
Yixuan Wu, Todd R Albrecht, David Baillat, Eric J Wagner, Liang Tong
The metazoan Integrator complex (INT) has important functions in the 3'-end processing of noncoding RNAs, including the uridine-rich small nuclear RNA (UsnRNA) and enhancer RNA (eRNA), and in the transcription of coding genes by RNA polymerase II. The INT contains at least 14 subunits, but its molecular mechanism of action is poorly understood, because currently there is little structural information about its subunits. The endonuclease activity of INT is mediated by its subunit 11 (IntS11), which belongs to the metallo-β-lactamase superfamily and is a paralog of CPSF-73, the endonuclease for pre-mRNA 3'-end processing...
April 10, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28391304/professional-supervision-as-storied-experience-narrative-analysis-findings-for-australian-based-registered-music-therapists
#12
Jeanette D Kennelly, Felicity A Baker, Barbara A Daveson
Background: Limited research exists to inform a music therapist's supervision story from their pre-professional training to their practice as a professional. Evidence is needed to understand the complex nature of supervision experiences and their impact on professional practice. Objective: This qualitative study explored the supervisory experiences of Australian-based Registered Music Therapists, according to the: 1) themes that characterize their experiences, 2) influences of the supervisor's professional background, 3) outcomes of supervision, and 4) roles of the employer, the professional music therapy association, and the university in supervision standards and practice...
March 1, 2017: Journal of Music Therapy
https://www.readbyqxmd.com/read/28390031/extending-the-theoretical-framework-for-curriculum-integration-in-pre-clinical-medical-education
#13
John Vergel, Diana Stentoft, Juny Montoya
INTRODUCTION: Curriculum integration is widely discussed in medical education but remains ill defined. Although there is plenty of information on logistical aspects of curriculum integration, little attention has been paid to the contextual issues that emerge from its practice and may complicate students' knowledge integration. Therefore, we aimed to uncover how curriculum integration is manifested through context. METHODS: We collected data from the official curriculum and interviewed ten participants (including curriculum designers, facilitators, and students) in the bachelor's medical program at Aalborg University...
April 7, 2017: Perspectives on Medical Education
https://www.readbyqxmd.com/read/28387034/swath-id-an-instrument-method-which-combines-identification-and-quantification-in-a-single-analysis
#14
Yang Kang, Lyle Burton, Adam Lau, Stephen Tate
Data-independent acquisition (DIA) approaches, such as SWATH(®) -MS, are showing great potential to reliably quantify significant numbers of peptides and proteins in an unbiased manner. These developments have enhanced interest in developing a single DIA method which integrates qualitative and quantitative analysis, eliminating the need of a pre-built library of peptide spectra which are created through data-dependent acquisition (DDA) methods or from public repositories. Here we introduce a new DIA approach, referred to as "SWATH-ID", which was developed to allow peptide identification as well as quantitation...
April 7, 2017: Proteomics
https://www.readbyqxmd.com/read/28369367/collagen-xiii-secures-pre-and-postsynaptic-integrity-of-the-neuromuscular-synapse
#15
Heli Härönen, Zarin Zainul, Hongmin Tu, Nikolay Naumenko, Raija Sormunen, Ilkka Miinalainen, Anastasia Shakirzyanova, Tuomo Oikarainen, Azat Abdullin, Paula Martin, Sabrina Santoleri, Jari Koistinaho, Israel Silmanl, Rashid Giniatullin, Michael A Fox, Anne Heikkinen, Taina Pihlajaniemi
Both transmembrane and extracellular cues, one of which is collagen XIII, regulate formation and function of the neuromuscular synapse, and their absence results in myasthenia. We show that the phenotypical changes in collagen XIII knock-out mice are milder than symptoms in human patients, but the Col13a1-/- mice recapitulate major muscle findings of congenital myasthenic syndrome type 19 and serve as a disease model. In the lack of collagen XIII neuromuscular synapses do not reach full size, alignment, complexity and function resulting in reduced muscle strength...
March 24, 2017: Human Molecular Genetics
https://www.readbyqxmd.com/read/28359843/it-takes-a-village-to-raise-a-branch-cellular-mechanisms-of-the-initiation-of-axon-collateral-branches
#16
REVIEW
Lorena Armijo-Weingart, Gianluca Gallo
The formation of axon collateral branches from the pre-existing shafts of axons is an important aspect of neurodevelopment and the response of the nervous system to injury. This article provides an overview of the role of the cytoskeleton and signaling mechanisms in the formation of axon collateral branches. Both the actin filament and microtubule components of the cytoskeleton are required for the formation of axon branches. Recent work has begun to shed light on how these two elements of the cytoskeleton are integrated by proteins that functionally or physically link the cytoskeleton...
March 27, 2017: Molecular and Cellular Neurosciences
https://www.readbyqxmd.com/read/28356552/pharmacokinetic-pharmacodynamic-modelling-of-intracellular-mycobacterium-tuberculosis-growth-and-kill-rates-is-predictive-of-clinical-treatment-duration
#17
Ghaith Aljayyoussi, Victoria A Jenkins, Raman Sharma, Alison Ardrey, Samantha Donnellan, Stephen A Ward, Giancarlo A Biagini
Tuberculosis (TB) treatment is long and complex, typically involving a combination of drugs taken for 6 months. Improved drug regimens to shorten and simplify treatment are urgently required, however a major challenge to TB drug development is the lack of predictive pre-clinical tools. To address this deficiency, we have adopted a new high-content imaging-based approach capable of defining the killing kinetics of first line anti-TB drugs against intracellular Mycobacterium tuberculosis (Mtb) residing inside macrophages...
March 29, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28356354/n-terminal-half-of-transportin-sr2-interacts-with-hiv-integrase
#18
Vicky G Tsirkone, Jolien Blokken, Flore De Wit, Jolien Breemans, Stéphanie De Houwer, Zeger Debyser, Frauke Christ, Sergei V Strelkov
The karyopherin transportin SR2 (TRN-SR2, TNPO3) is responsible for shuttling specific cargoes such as serine/arginine-rich splicing factors from the cytoplasm to the nucleus. This protein plays a key role in HIV infection by facilitating the nuclear import of the pre-integration complex (PIC) which contains the viral DNA as well as several cellular and HIV proteins including the integrase. The process of nuclear import is considered to be the bottleneck of the viral replication cycle and therefore represents a promising target for anti-HIV drug design...
March 29, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28355565/coordinated-pulses-of-mrna-and-of-protein-translation-or-degradation-produce-egf-induced-protein-bursts
#19
Roni Golan-Lavi, Chiara Giacomelli, Garold Fuks, Amit Zeisel, Johanna Sonntag, Sanchari Sinha, Wolfgang Köstler, Stefan Wiemann, Ulrike Korf, Yosef Yarden, Eytan Domany
Protein responses to extracellular cues are governed by gene transcription, mRNA degradation and translation, and protein degradation. In order to understand how these time-dependent processes cooperate to generate dynamic responses, we analyzed the response of human mammary cells to the epidermal growth factor (EGF). Integrating time-dependent transcript and protein data into a mathematical model, we inferred for several proteins their pre-and post-stimulus translation and degradation coefficients and found that they exhibit complex, time-dependent variation...
March 28, 2017: Cell Reports
https://www.readbyqxmd.com/read/28351924/plasmodium-falciparum-maf1-confers-survival-upon-amino-acid-starvation
#20
Kyle Jarrod McLean, Marcelo Jacobs-Lorena
The target of rapamycin complex 1 (TORC1) pathway is a highly conserved signaling pathway across eukaryotes that integrates nutrient and stress signals to regulate the cellular growth rate and the transition into and maintenance of dormancy. The majority of the pathway's components, including the central TOR kinase, have been lost in the apicomplexan lineage, and it is unknown how these organisms detect and respond to nutrient starvation in its absence. Plasmodium falciparum encodes a putative ortholog of the RNA polymerase (Pol) III repressor Maf1, which has been demonstrated to modulate Pol III transcription in a TOR-dependent manner in a number of organisms...
March 28, 2017: MBio
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