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Quantitative systems pharmacology

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https://www.readbyqxmd.com/read/29338724/development-and-validation-of-hptlc-fingerprints-of-three-species-of-alpinia-with-biomarker-galangin
#1
Anuradha S Upadhye, Anagha Rajopadhye, Lourelle Dias
BACKGROUND: Alpinia galanga (L.) Willd. commonly called as Rasna, Greater galangal or Kulinjan is a medicinally important rhizome used in Indian traditional system of medicine to cure a number of ailments. A. galanga is the main source of a galangin -a medicinally important flavanol which has a number of pharmacological properties viz. anti-mutagenic, and anti-inflammatory. Due to the high demand for the rhizome of A. galanga traders are now substituting it with rhizomes of A. calcarata and A...
January 16, 2018: BMC Complementary and Alternative Medicine
https://www.readbyqxmd.com/read/29330787/mass-spectrometry-and-bioinformatic-analysis-of-hydroxylation-dependent-protein-protein-interactions
#2
Javier Rodriguez, Alex von Kriegsheim
Characterization of how a stimulus regulates the dynamics of protein-protein interaction is critical for understanding how a particular protein is regulated in an intracellular signaling network. Protein hydroxylation, which is a posttranslational modification catalyzed by oxygen-dependent enzymes, is a crucial regulator of protein-protein interactions. Under low oxygen conditions, the activity of many hydroxylases is inhibited, which results in a reduction of substrate hydroxylation. These changes alter the interactome of the substrate, and this dynamic rewiring of signaling networks explains crucial aspects of the adaptive response to hypoxia...
2018: Methods in Molecular Biology
https://www.readbyqxmd.com/read/29330383/development-of-a-pet-radioligand-for-potassium-channels-to-image-cns-demyelination
#3
Pedro Brugarolas, Jorge E Sánchez-Rodríguez, Hsiu-Ming Tsai, Falguni Basuli, Shih-Hsun Cheng, Xiang Zhang, Andrew V Caprariello, Jerome J Lacroix, Richard Freifelder, Dhanabalan Murali, Onofre DeJesus, Robert H Miller, Rolf E Swenson, Chin-Tu Chen, Peter Herscovitch, Daniel S Reich, Francisco Bezanilla, Brian Popko
Central nervous system (CNS) demyelination represents the pathological hallmark of multiple sclerosis (MS) and contributes to other neurological conditions. Quantitative and specific imaging of demyelination would thus provide critical clinical insight. Here, we investigated the possibility of targeting axonal potassium channels to image demyelination by positron emission tomography (PET). These channels, which normally reside beneath the myelin sheath, become exposed upon demyelination and are the target of the MS drug, 4-aminopyridine (4-AP)...
January 12, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29319795/n-acetyl-2-aminofluorene-aaf-processing-in-adult-rat-hepatocytes-in-primary-culture-occurs-by-high-affinity-low-velocity-and-low-affinity-high-velocity-aaf-metabolite-forming-systems
#4
K S Koch, T Moran, W T Shier, H L Leffert
N-acetyl-2-aminofluorene (AAF) is a procarcinogen used widely in physiological investigations of chemical hepatocarcinogenesis. Its metabolic pathways have been described extensively, yet little is known about its biochemical processing, growth cycle expression and pharmacological properties inside living hepatocytes - the principal cellular targets of this hepatocarcinogen. In this report, primary monolayer adult rat hepatocyte cultures and high specific-activity [ring G-3H]-N-acetyl-2-aminofluorene were used to extend previous observations of metabolic activation of AAF by highly differentiated, proliferation-competent hepatocytes in long-term cultures...
January 8, 2018: Toxicological Sciences: An Official Journal of the Society of Toxicology
https://www.readbyqxmd.com/read/29307099/boolean-network-modeling-in-systems-pharmacology
#5
Peter Bloomingdale, Van Anh Nguyen, Jin Niu, Donald E Mager
Quantitative systems pharmacology (QSP) is an emerging discipline that aims to discover how drugs modulate the dynamics of biological components in molecular and cellular networks and the impact of those perturbations on human pathophysiology. The integration of systems-based experimental and computational approaches is required to facilitate the advancement of this field. QSP models typically consist of a series of ordinary differential equations (ODE). However, this mathematical framework requires extensive knowledge of parameters pertaining to biological processes, which is often unavailable...
January 6, 2018: Journal of Pharmacokinetics and Pharmacodynamics
https://www.readbyqxmd.com/read/29296571/water-extract-of-uncaria-sinensis-suppresses-rankl-induced-bone-loss-by-attenuating-osteoclast-differentiation-and-bone-resorption
#6
Hyunil Ha, Ki-Shuk Shim, Jin Yeul Ma
Background: The hooks and stems of Uncaria sinensis have been used to mitigate cardiovascular and central nervous system disorders in Asia traditional medicine. Regulation of osteoclast differentiation and activity is a major target for preventing and treating pathological bone diseases. Methods: Tartrate-resistant acid phosphatase (TRAP) activity and the number of TRAP-stained multinucleated cells were used to examine receptor activator of nuclear factor-κB ligand (RANKL)-induced osteoclast differentiation...
December 2017: Integrative Medicine Research
https://www.readbyqxmd.com/read/29291056/niclosamide-loaded-biodegradable-chitosan-nanocargoes-an-in-vitro-study-for-potential-application-in-cancer-therapy
#7
Saba Naqvi, Shanid Mohiyuddin, P Gopinath
Chitosan nanoparticles can advance the pharmacological and therapeutic properties of chemotherapeutic agents by controlling release rates and targeted delivery process, which eliminates the limitations of conventional anti-cancer therapies and they are also safe as well as cost-effective. The aim of present study is to explore the anti-tumour effect of niclosamide in lung and breast cancer cell lines using biocompatible and biodegradable carrier where nanoparticles loaded with hydrophobic drug (niclosamide) were synthesized, characterized and applied as a stable anti-cancer agent...
November 2017: Royal Society Open Science
https://www.readbyqxmd.com/read/29282212/musclemotion-a-versatile-open-software-tool-to-quantify-cardiomyocyte-and-cardiac-muscle-contraction-in-vitro-and-in-vivo
#8
Luca Sala, Berend J van Meer, Leon T Tertoolen, Jeroen Bakkers, Milena Bellin, Richard P Davis, Chris N Denning, Michel A Dieben, Thomas Eschenhagen, Elisa Giacomelli, Catarina Grandela, Arne Hansen, Eduard Holman, Monique R Jongbloed, Sarah M Kamel, Charlotte D Koopman, Quentin Lachaud, Ingra Mannhardt, Mervyn P Mol, Diogo Mosqueira, Valeria V Orlova, Robert Passier, Marcelo C Ribeiro, Umber Saleem, Godfrey Smith, Francis L L Burton, Christine L Mummery
Rationale: There are several methods to measure cardiomyocyte (CM) and muscle contraction but these require customized hardware, expensive apparatus and advanced informatics or can only be used in single experimental models. Consequently, data and techniques have been difficult to reproduce across models and laboratories, analysis is time consuming and only specialist researchers can quantify data. Objective: Here we describe and validate an automated, open source software tool (MUSCLEMOTION) adaptable for use with standard laboratory- and clinical imaging equipment that enables quantitative analysis of normal cardiac contraction, disease phenotypes and pharmacological responses...
December 27, 2017: Circulation Research
https://www.readbyqxmd.com/read/29277561/nuclear-receptor-subfamily-1-group-d-member-1-regulates-circadian-activity-of-nlrp3-inflammasome-to-reduce-the-severity-of-fulminant-hepatitis-in-mice
#9
B Pourcet, M Zecchin, L Ferri, J Beauchamp, S Sitaula, C Billon, S Delhaye, J Vanhoutte, A Mayeuf-Louchart, Q Thorel, J Haas, J Eeckhoute, D Dombrowicz, C Duhem, A Boulinguiez, S Lancel, Y Sebti, T Burris, B Staels, H Duez
BACKGROUND & AIMS: The innate immune system responds not only to bacterial signals, but also to non-infectious danger-associated molecular patterns that activate the NLRP3 inflammasome complex after tissue injury. Immune functions vary over the course of the day, but it is not clear whether these changes affect the activity of the NLRP3 inflammasome. We investigated whether the core clock component nuclear receptor subfamily 1 group D member 1 (NR1D1, also called Rev-erbα) regulates expression, activity of the NLRP3 inflammasome, and its signaling pathway...
December 22, 2017: Gastroenterology
https://www.readbyqxmd.com/read/29259701/quantitative-assessment-of-angiogenesis-and-pericyte-coverage-in-human-cell-derived-vascular-sprouts
#10
Jan Eglinger, Haiko Karsjens, Eckhard Lammert
Background: Pericytes, surrounding the endothelium, fulfill diverse functions that are crucial for vascular homeostasis. The loss of pericytes is associated with pathologies, such as diabetic retinopathy and Alzheimer's disease. Thus, there exists a need for an experimental system that combines pharmacologic manipulation and quantification of pericyte coverage during sprouting angiogenesis. Here, we describe an in vitro angiogenesis assay that develops lumenized vascular sprouts composed of endothelial cells enveloped by pericytes, with the additional ability to comparatively screen the effect of multiple small molecules simultaneously...
2017: Inflammation and Regeneration
https://www.readbyqxmd.com/read/29259176/connecting-neuronal-cell-protective-pathways-and-drug-combinations-in-a-huntington-s-disease-model-through-the-application-of-quantitative-systems-pharmacology
#11
Fen Pei, Hongchun Li, Mark J Henderson, Steven A Titus, Ajit Jadhav, Anton Simeonov, Murat Can Cobanoglu, Seyed H Mousavi, Tongying Shun, Lee McDermott, Prema Iyer, Michael Fioravanti, Diane Carlisle, Robert M Friedlander, Ivet Bahar, D Lansing Taylor, Timothy R Lezon, Andrew M Stern, Mark E Schurdak
Quantitative Systems Pharmacology (QSP) is a drug discovery approach that integrates computational and experimental methods in an iterative way to gain a comprehensive, unbiased understanding of disease processes to inform effective therapeutic strategies. We report the implementation of QSP to Huntington's Disease, with the application of a chemogenomics platform to identify strategies to protect neuronal cells from mutant huntingtin induced death. Using the STHdh Q111 cell model, we investigated the protective effects of small molecule probes having diverse canonical modes-of-action to infer pathways of neuronal cell protection connected to drug mechanism...
December 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29230490/pharmacokinetic-study-of-tianeptine-and-its-active-metabolite-mc5-in-rats-following-different-routes-of-administration-using-a-novel-liquid-chromatography-tandem-mass-spectrometry-analytical-method
#12
Małgorzata Szafarz, Agnieszka Wencel, Krzysztof Pociecha, Filip A Fedak, Piotr Wlaź, Elżbieta Wyska
Tianeptine is an atypical antidepressant with a unique mechanism of action and recently it has been also reported that its major metabolite, compound MC5, possesses pharmacological activity similar to that of the parent drug. The current study aims to investigate the pharmacokinetics (PK) of both tianeptine and MC5 after intravenous or intraperitoneal administration of the parent drug as well as the metabolic ratio of MC5 in rats. To achieve these goals an LC-MS/MS method using the small sample volume for the quantitation of tianeptine and its active metabolite MC5 in rat plasma and liver perfusate has been developed and validated...
December 12, 2017: Naunyn-Schmiedeberg's Archives of Pharmacology
https://www.readbyqxmd.com/read/29228872/the-in-vivo-pharmacokinetics-tissue-distribution-and-excretion-investigation-of-mesaconine-in-rats-and-its-in-vitro-intestinal-absorption-study-using-uplc-ms-ms
#13
Xiuxiu Liu, Minghai Tang, Taohong Liu, Chunyan Wang, Qiaoxin Tang, Yaxin Xiao, Ruixin Yang, Ruobing Chao
Mesaconine, an ingredient from Aconitum carmichaelii Debx., has been proven to have cardiac effect. For further development and better pharmacological elucidation, the in vivo process and intestinal absorptive behavior of mesaconine should be investigated comprehensively. An ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method was developed and validated for quantitation of mesaconine in rat plasma, tissue homogenates, urine and feces to investigate the in vivo pharmacokinetic profiles, tissue distribution and excretion...
December 12, 2017: Xenobiotica; the Fate of Foreign Compounds in Biological Systems
https://www.readbyqxmd.com/read/29226804/systems-pharmacology-dissection-of-cholesterol-regulation-reveals-determinants-of-large-pharmacodynamic-variability-between-cell-lines
#14
Peter Blattmann, David Henriques, Michael Zimmermann, Fabian Frommelt, Uwe Sauer, Julio Saez-Rodriguez, Ruedi Aebersold
In individuals, heterogeneous drug-response phenotypes result from a complex interplay of dose, drug specificity, genetic background, and environmental factors, thus challenging our understanding of the underlying processes and optimal use of drugs in the clinical setting. Here, we use mass-spectrometry-based quantification of molecular response phenotypes and logic modeling to explain drug-response differences in a panel of cell lines. We apply this approach to cellular cholesterol regulation, a biological process with high clinical relevance...
November 24, 2017: Cell Systems
https://www.readbyqxmd.com/read/29225663/high-throughput-detection-of-antioxidants-in-mulberry-fruit-using-correlations-between-high-resolution-mass-and-activity-profiles-of-chromatographic-fractions
#15
Ye Ji Park, Si Hyun Seong, Min Sun Kim, Sang Wan Seo, Mee Ree Kim, Hyun Sik Kim
Background: Plant extracts contain a huge variety of pharmacologically active substances. Conventionally, various chromatographic methods must be applied several times to purify functional compounds to measure their functional activity. However, conventional purification methods are time-consuming and expensive due to the laborious purification process. Recently, a high-throughput discovery method that replaces such time-consuming purification processes was introduced; this method uses 15 T ultra-high-resolution Fourier transform ion cyclotron resonance mass spectrometry (15 T FT-ICR MS) and a high-throughput screening method...
2017: Plant Methods
https://www.readbyqxmd.com/read/29216587/quantification-of-immobilized-protein-in-pharmaceutical-production-by-bio-assisted-potentiometric-multisensor-system
#16
Edita Voitechovič, Anton Korepanov, Dmitry Kirsanov, Andrey Legin
Quantification of proteins is a key biochemical assay in molecular biology, biotechnology, medicine and pharmacology. Protein quantification protocols can be based on spectrophotometry, enzyme-linked immunosorbent assay, mass spectrometry or quantitative immunoblotting depending on analyte. In case of immobilized protein these methods require suitable sample preparation. Thus, sophisticated analysis becomes even more complex, expensive and time-consuming. Such drawbacks are highly undesirable in industry. In this study we propose a new approach for evaluation of immobilized protein concentration based on application of bio-assisted potentiometric multisensor system...
December 4, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29193852/frequency-domain-response-analysis-for-quantitative-systems-pharmacology-models
#17
Pascal Schulthess, Teun M Post, James Yates, Piet H van der Graaf
Drug dosing regimen can significantly impact drug effect and, thus, the success of treatments. Nevertheless, trial and error is still the most commonly used method by conventional pharmacometric approaches to optimize dosing regimen. In this tutorial, we utilize four distinct classes of quantitative systems pharmacology models to introduce frequency-domain response analysis, a method widely used in electrical and control engineering that allows the analytical optimization of drug treatment regimen from the dynamics of the model...
November 28, 2017: CPT: Pharmacometrics & Systems Pharmacology
https://www.readbyqxmd.com/read/29191238/ethnopharmacological-studies-of-indigenous-plants-in-kel-village-neelum-valley-azad-kashmir-pakistan
#18
Khawaja Shafique Ahmad, Abdul Hamid, Fahim Nawaz, Mansoor Hameed, Farooq Ahmad, Jiabin Deng, Noreen Akhtar, Ambreen Wazarat, Sehrish Mahroof
BACKGROUND: This explorative study was undertaken for the first time in Kel village located in the Upper Neelum Valley, Azad Kashmir, Pakistan. The purpose was to document the indigenous knowledge of the native people used in the preparation of herbal medicines. METHODS: To get the data on traditional uses of medicinal plants, 20 informants were interviewed. Quantitative ethnobotanical indices, i.e., use value (UV), relative frequencies of citation (RFC), informant consensus factor (Fic), fidelity level (FL), data matrix ranking (DMR), preference ranking (PR), and jaccard index (JI), were calculated for the recorded medicinal plants...
December 1, 2017: Journal of Ethnobiology and Ethnomedicine
https://www.readbyqxmd.com/read/29181592/selection-and-qualification-of-simplified-qsp-models-when-using-model-order-reduction-techniques
#19
Chihiro Hasegawa, Stephen B Duffull
Quantitative systems pharmacology (QSP) models are increasingly used in drug development to provide a deep understanding of the mechanism of action of drugs and to identify appropriate disease targets. Such models are, however, not suitable for estimation purposes due to their high dimensionality. Based on any desired and specific input-output relationship, the system may be reduced to a model with fewer states and parameters. However, any simplification process will be a trade-off between model performance and complexity...
November 27, 2017: AAPS Journal
https://www.readbyqxmd.com/read/29179033/validation-of-the-arm-profile-score-in-assessing-upper-limb-functional-impairments-in-people-with-multiple-sclerosis
#20
Federica Corona, Elisa Gervasoni, Giancarlo Coghe, Eleonora Cocco, Maurizio Ferrarin, Massimiliano Pau, Davide Cattaneo
BACKGROUND: Although upper limb (UL) impairments are widespread in people with Multiple Sclerosis (pwMS), there is limited quantitative evidence concerning their specific features. The aim of this study is to validate a synthetic measure based on kinematic data to define the degree of deviation from a physiologic pattern during the "hand to mouth" (HTM) task. METHODS: Twenty pwMS (mean age 51.2 SD 11.1) years, Expanded Disability Status Scale (EDSS) score in the range 2-6...
November 22, 2017: Clinical Biomechanics
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