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Quantitative systems pharmacology

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https://www.readbyqxmd.com/read/28316633/medicinal-plants-from-northeastern-brazil-against-alzheimer-s-disease
#1
Alexandre Batista Penido, Selene Maia De Morais, Alan Bezerra Ribeiro, Daniela Ribeiro Alves, Ana Livya Moreira Rodrigues, Leonardo Hunaldo Dos Santos, Jane Eire Silva Alencar de Menezes
Alzheimer's disease (AD) has been linked with oxidative stress, acetylcholine deficiency in the brain, and inflammatory processes. In the northeast region of Brazil, various plants are used to treat several diseases associated with these processes; then an antioxidant test was performed with those plants in a previous work and twelve species with higher antioxidant activity were selected for AChE inhibition evaluation. The phenolic compounds content was determined by Folin-Ciocalteu test and flavonoid content with AlCl3 reagent using UV-visible spectrophotometry...
2017: Evidence-based Complementary and Alternative Medicine: ECAM
https://www.readbyqxmd.com/read/28296985/a-review-of-quantitative-structure-property-relationships-for-the-fate-of-ionizable-organic-chemicals-in-water-matrices-and-identification-of-knowledge-gaps
#2
REVIEW
Tom M Nolte, Ad M J Ragas
Many organic chemicals are ionizable by nature. After use and release into the environment, various fate processes determine their concentrations, and hence exposure to aquatic organisms. In the absence of suitable data, such fate processes can be estimated using Quantitative Structure-Property Relationships (QSPRs). In this review we compiled available QSPRs from the open literature and assessed their applicability towards ionizable organic chemicals. Using quantitative and qualitative criteria we selected the 'best' QSPRs for sorption, (a)biotic degradation, and bioconcentration...
March 15, 2017: Environmental Science. Processes & Impacts
https://www.readbyqxmd.com/read/28275342/prefrontal-dopaminergic-mechanisms-of-extinction-in-adolescence-compared-to-adulthood-in-rats
#3
Isabel C Zbukvic, Chun Hui J Park, Despina E Ganella, Andrew J Lawrence, Jee Hyun Kim
Adolescents with anxiety disorders attain poorer outcomes following extinction-based treatment compared to adults. Extinction deficit during adolescence has been identified to involve immaturity in the medial prefrontal cortex (mPFC). Findings from adult rodents suggest extinction involves dopamine signaling in the mPFC. This system changes dramatically during adolescence, but its role in adolescent extinction is unknown. Therefore, we investigated the role of prefrontal dopamine in extinction using Pavlovian fear conditioning in adolescent and adult rats...
2017: Frontiers in Behavioral Neuroscience
https://www.readbyqxmd.com/read/28272351/methyl-gallate-inhibits-osteoclast-formation-and-function-by-suppressing-akt-and-btk-plc%C3%AE-2-ca-2-signaling-and-prevents-lipopolysaccharide-induced-bone-loss
#4
Jong Min Baek, Ju-Young Kim, Chang Hoon Lee, Kwon-Ha Yoon, Myeung Su Lee
In the field of bone research, various natural derivatives have emerged as candidates for osteoporosis treatment by targeting abnormally elevated osteoclastic activity. Methyl gallate, a plant-derived phenolic compound, is known to have numerous pharmacological effects against inflammation, oxidation, and cancer. Our purpose was to explore the relation between methyl gallate and bone metabolism. Herein, we performed screening using methyl gallate by tartrate resistant acid phosphatase (TRAP) staining and revealed intracellular mechanisms responsible for methyl gallate-mediated regulation of osteoclastogenesis by Western blotting and quantitative reverse transcription polymerase chain reaction (RT-PCR)...
March 7, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28264454/an-investigation-on-the-quantitative-structure-activity-relationships-of-the-anti-inflammatory-activity-of-diterpenoid-alkaloids
#5
Xiao Li, Ning Li, Zhenyu Sui, Kaishun Bi, Zuojing Li
Diterpenoid alkaloids are extracted from plants. These compounds have broad biological activities, including effects on the cardiovascular system, anti-inflammatory and analgesic actions, and anti-tumor activity. The anti-inflammatory activity was determined by carrageenan-induced rat paw edema and experimental trauma in rats. The number of studies focused on the determination, quantitation and pharmacological properties of these alkaloids has increased dramatically during the past few years. In this work we built a dataset composed of 15 diterpenoid alkaloid compounds with diverse structures, of which 11 compounds were included in the training set and the remaining compounds were included in the test set...
February 27, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28254357/rad-adapt-software-for-modelling-clonogenic-assay-data-in-radiation-biology
#6
Yaping Zhang, Kaiqiang Hu, Jan H Beumer, Christopher J Bakkenist, David Z D'Argenio
We present a comprehensive software program, RAD-ADAPT, for the quantitative analysis of clonogenic assays in radiation biology. Two commonly used models for clonogenic assay analysis, the linear-quadratic model and single-hit multi-target model, are included in the software. RAD-ADAPT uses maximum likelihood estimation method to obtain parameter estimates with the assumption that cell colony count data follow a Poisson distribution. The program has an intuitive interface, generates model prediction plots, tabulates model parameter estimates, and allows automatic statistical comparison of parameters between different groups...
February 20, 2017: DNA Repair
https://www.readbyqxmd.com/read/28236988/-what-can-we-expect-from-clinical-trials-in-psychiatry
#7
A Marsot, Q Boucherie, F Kheloufi, C Riff, D Braunstein, J Dupouey, R Guilhaumou, X Zendjidjian, S Bonin-Guillaume, E Fakra, M Guye, V Jirsa, J-M Azorin, R Belzeaux, M Adida, J Micallef, O Blin
Clinical trials in psychiatry allow to build the regulatory dossiers for market authorization but also to document the mechanism of action of new drugs, to build pharmacodynamics models, evaluate the treatment effects, propose prognosis, efficacy or tolerability biomarkers and altogether to assess the impact of drugs for patient, caregiver and society. However, clinical trials have shown some limitations. Number of recent dossiers failed to convince the regulators. The clinical and biological heterogeneity of psychiatric disorders, the pharmacokinetic and pharmacodynamics properties of the compounds, the lack of translatable biomarkers possibly explain these difficulties...
December 2016: L'Encéphale
https://www.readbyqxmd.com/read/28236794/pharmaceutical-care-practice-in-patients-with-chronic-kidney-disease
#8
Dadier Antonio Arroyo Monterroza, José Francisco Castro Bolivar
INTRODUCTION: The impact of chronic kidney disease in health is no longer just a patient-physician issue, not only in terms of the increase in the number of patients diagnosed, but also regarding the human and economic cost for health systems. That is why Pharmaceutical Care should include SOPs structured by criteria reached by consensus to conduct Pharmaceutical Care Practice, which will enable to prevent, identify and solve any negative outcomes in patients that are associated with medication...
March 1, 2017: Farmacia Hospitalaria
https://www.readbyqxmd.com/read/28229334/specific-amyloid-binding-of-polybasic-peptides-in-vivo-is-retained-by-%C3%AE-sheet-conformers-but-lost-in-the-disrupted-coil-and-all-d-amino-acid-variants
#9
Jonathan S Wall, Angela Williams, Tina Richey, Alan Stuckey, Craig Wooliver, J Christopher Scott, Robert Donnell, Emily B Martin, Stephen J Kennel
PURPOSE: The heparin-reactive, helical peptide p5 is an effective amyloid imaging agent in mice with systemic amyloidosis. Analogs of p5 with modified secondary structure characteristics exhibited altered binding to heparin, synthetic amyloid fibrils, and amyloid extracts in vitro. Herein, we further study the effects of peptide helicity and chirality on specific amyloid binding using a mouse model of systemic inflammation-associated (AA) amyloidosis. PROCEDURES: Peptides with disrupted helical structure [p5(coil) and p5(Pro3)], with an extended sheet conformation [p5(sheet)] or an all-D enantiomer [p5(D)], were chemically synthesized, radioiodinated, and their biodistribution studied in WT mice as well as transgenic animals with severe systemic AA amyloidosis...
February 22, 2017: Molecular Imaging and Biology: MIB: the Official Publication of the Academy of Molecular Imaging
https://www.readbyqxmd.com/read/28228166/methylene-blue-assay-for-estimation-of-regenerative-re-epithelialization-in-vivo
#10
Maresha Milyavsky, Renee Dickie
The rapidity with which epithelial cells cover a wound surface helps determine whether scarring or scar-less healing results. As methylene blue is a vital dye that is absorbed by damaged tissue but not undamaged epidermis, it can be used to assess wound closure. We sought to develop a quantitative methylene blue exclusion assay to estimate the timeframe for re-epithelialization in regenerating appendages in zebrafish and axolotls, two classic model systems of regeneration. Following application of methylene blue to the amputation plane and extensive washing, the regenerating tail was imaged in vivo until staining was no longer visible...
February 2017: Microscopy and Microanalysis
https://www.readbyqxmd.com/read/28219400/alleviation-of-secondary-brain-injury-posttraumatic-inflammation-and-brain-edema-formation-by-inhibition-of-factor-xiia
#11
Sarah Hopp, Marc W Nolte, Christian Stetter, Christoph Kleinschnitz, Anna-Leena Sirén, Christiane Albert-Weissenberger
BACKGROUND: Traumatic brain injury (TBI) is a devastating neurological condition and a frequent cause of permanent disability. Posttraumatic inflammation and brain edema formation, two pathological key events contributing to secondary brain injury, are mediated by the contact-kinin system. Activation of this pathway in the plasma is triggered by activated factor XII. Hence, we set out to study in detail the influence of activated factor XII on the abovementioned pathophysiological features of TBI...
February 20, 2017: Journal of Neuroinflammation
https://www.readbyqxmd.com/read/28182247/translation-and-clinical-development-of-bispecific-t-cell-engaging-antibodies-for-cancer-treatment
#12
Theresa Yuraszeck, Sree Kasichayanula, Jonathan E Benjamin
Bispecific T Cell Engagers (BiTE®) antibody constructs enable a polyclonal T cell response to cell-surface tumor-associated antigens, bypassing the narrow specificities of T cell receptors and the need for antigen presentation through the Major Histocompatibility Complex pathways. Blinatumomab, a CD19xCD3 BiTE® antibody construct, received accelerated approval for the treatment of relapsed/refractory Philadelphia chromosome negative acute lymphoblastic leukemia. Herein we review the pharmacology, safety, and efficacy observed in studies of blinatumomab and other BiTE® antibody constructs...
February 9, 2017: Clinical Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/28181140/real-architecture-for-3d-tissue-raft%C3%A2-culture-system-improves-viability-and-maintains-insulin-and-glucagon-production-of-mouse-pancreatic-islet-cells
#13
Gabor J Szebeni, Zsuzsanna Tancos, Liliana Z Feher, Robert Alfoldi, Julianna Kobolak, Andras Dinnyes, Laszlo G Puskas
There is an unmet medical need for the improvement of pancreatic islet maintenance in culture. Due to restricted donor availability it is essential to ameliorate islet viability and graft engraftment. The aim of this study was to compare the standard tissue culture techniques with the advanced Real Architecture For 3D Tissue (RAFT™) culture system in terms of viability and hormone production. Here, we first report that islets embedded in RAFT™ collagen type I advanced tissue culture system maintain their tissue integrity better than in monolayer and suspension cultures...
February 8, 2017: Cytotechnology
https://www.readbyqxmd.com/read/28174517/a-practical-guide-to-approaching-biased-agonism-at-g-protein-coupled-receptors
#14
Jaimee Gundry, Rachel Glenn, Priya Alagesan, Sudarshan Rajagopal
Biased agonism, the ability of a receptor to differentially activate downstream signaling pathways depending on binding of a "biased" agonist compared to a "balanced" agonist, is a well-established paradigm for G protein-coupled receptor (GPCR) signaling. Biased agonists have the promise to act as smarter drugs by specifically targeting pathogenic or therapeutic signaling pathways while avoiding others that could lead to side effects. A number of biased agonists targeting a wide array of GPCRs have been described, primarily based on their signaling in pharmacological assays...
2017: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/28166432/quantitative-histochemistry-for-macrophage-biodistribution-on-mice-liver-and-spleen-after-the-administration-of-a-pharmacological-relevant-dose-of-polyacrylic-acid-coated-iron-oxide-nanoparticles
#15
Daniela Rodrigues, Marisa Freitas, Vera Marisa Costa, Manuel Arturo Lopez-Quintela, José Rivas, Paulo Freitas, Félix Carvalho, Eduarda Fernandes, Paula Silva
Understanding in vivo biodistribution of iron oxide nanoparticles (IONs), and the involvement of the phagocyte system in this process, is crucial for the assessment of their potential health risk. In the present study, the histochemical expression of iron in liver and spleen sections of CD-1 mice (aged 8 weeks) was quantified, 24 h after intravenous administration of polyacrylic acid-coated IONs (PAA-coated IONs) (8, 20, 50 mg/kg). Organ sections were stained with Perls' Prussian blue for iron detection, followed by the quantification of iron deposition with ImageJ software...
March 2017: Nanotoxicology
https://www.readbyqxmd.com/read/28157267/myocardial-fibrosis-biomedical-research-from-bench-to-bedside
#16
REVIEW
Mariann Gyöngyösi, Johannes Winkler, Isbaal Ramos, Quoc-Tuan Do, Hüseyin Firat, Kenneth McDonald, Arantxa González, Thomas Thum, Javier Díez, Frédéric Jaisser, Anne Pizard, Faiez Zannad
Myocardial fibrosis refers to a variety of quantitative and qualitative changes in the interstitial myocardial collagen network that occur in response to cardiac ischaemic insults, systemic diseases, drugs, or any other harmful stimulus affecting the circulatory system or the heart itself. Myocardial fibrosis alters the architecture of the myocardium, facilitating the development of cardiac dysfunction, also inducing arrhythmias, influencing the clinical course and outcome of heart failure patients. Focusing on myocardial fibrosis may potentially improve patient care through the targeted diagnosis and treatment of emerging fibrotic pathways...
February 2017: European Journal of Heart Failure
https://www.readbyqxmd.com/read/28147303/characterization-of-the-therapeutic-properties-of-chinese-herbal-materials-by-measuring-delayed-luminescence-and-dendritic-cell-based-immunomodulatory-response
#17
Mengmeng Sun, Wen-Te Chang, Eduard Van Wijk, Min He, Slavik Koval, Ming-Kuem Lin, Roel Van Wijk, Thomas Hankemeier, Jan van der Greef, Mei Wang
Based on the traditional Chinese medicine theory, the Chinese pharmacopeia assigns a therapeutic description of "taste" to all herbs; thus, an herb's "taste" is valued in traditional Chinese medicine as a major ethnopharmacological category and reflects the herb's therapeutic properties. These properties guide the practitioner with respect to preparing a specific herbal formula in order to provide each patient with a personalized intervention. The key challenge in evidence-based medicine is to characterize herbal therapeutic properties from a multi-target, multi-dimensional systems pharmacology perspective...
January 22, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28129975/the-role-of-quantitative-systems-pharmacology-modeling-in-the-prediction-and-explanation-of-idiosyncratic-drug-induced-liver-injury
#18
REVIEW
Jeffrey L Woodhead, Paul B Watkins, Brett A Howell, Scott Q Siler, Lisl K M Shoda
Idiosyncratic drug-induced liver injury (iDILI) is a serious concern in drug development. The rarity and multifactorial nature of iDILI makes it difficult to predict and explain. Recently, human leukocyte antigen (HLA) allele associations have provided strong support for a role of an adaptive immune response in the pathogenesis of many iDILI cases; however, it is likely that an adaptive immune attack requires several preceding events. Quantitative systems pharmacology (QSP), an in silico modeling technique that leverages known physiology and the results of in vitro experiments in order to make predictions about how drugs affect biological processes, is proposed as a potentially useful tool for predicting and explaining critical events that likely precede immune-mediated iDILI, as well as the immune attack itself...
November 21, 2016: Drug Metabolism and Pharmacokinetics
https://www.readbyqxmd.com/read/28125843/pituitary-adenylate-cyclase-activating-peptide-pacap-a-novel-secretagogue-regulates-secreted-morphogens-in-newborn-rat-retina
#19
Monika Lakk, Viktoria Denes, Karmen Kovacs, Orsolya Hideg, Bence F Szabo, Robert Gabriel
Purpose: Pituitary adenylate cyclase-activating peptide (PACAP)1-38 has been reported to be responsible for regulation of a disparate array of developmental processes in the central nervous system, and its antiapoptotic effect has been revealed in numerous models, pointing to its relevance in the etiology of neurodegenerative disorders. However, its function in retinal development remains unclear. Here, we aimed to point out that versatility can be achieved through interaction with other regulators, in which PACAP can act indirectly on the retinal microenvironment...
January 1, 2017: Investigative Ophthalmology & Visual Science
https://www.readbyqxmd.com/read/28120706/advanced-in-silico-approaches-for-drug-discovery-mining-information-from-multiple-biological-and-chemical-data-through-mtk-qsber-and-pt-qspr-strategies
#20
Alejandro Speck-Planche, Maria Natália Dias Soeiro Cordeiro
The last decade has been seeing an increase of public-private partnerships in drug discovery, mostly driven by factors such as the decline in productivity, the high costs, time, and resources needed, along with the requirements of regulatory agencies. In this context, traditional computer-aided drug discovery techniques have been playing an important role, enabling the identification of new molecular entities at early stages. However, recent advances in chemoinformatics and systems pharmacology, alongside with a growing body of high quality, publicly accessible medicinal chemistry data, have led to the emergence of novel in silico approaches...
January 24, 2017: Current Medicinal Chemistry
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