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https://www.readbyqxmd.com/read/29156626/surface-plasmon-resonance-sensing-of-biorecognition-interactions-within-the-tumor-suppressor-p53-network
#1
REVIEW
Ilaria Moscetti, Salvatore Cannistraro, Anna Rita Bizzarri
Surface Plasmon Resonance (SPR) is a powerful technique to study the kinetics of biomolecules undergoing biorecognition processes, particularly suited for protein-protein interactions of biomedical interest. The potentiality of SPR was exploited to sense the interactions occurring within the network of the tumor suppressor p53, which is crucial for maintaining genome integrity and whose function is inactivated, mainly by down regulation or by mutation, in the majority of human tumors. This study includes p53 down-regulators, p53 mutants and also the p53 family members, p63 and p73, which could vicariate p53 protective function...
November 20, 2017: Sensors
https://www.readbyqxmd.com/read/29156529/alpinetin-improved-high-fat-diet-induced-non-alcoholic-fatty-liver-disease-nafld-through-improving-oxidative-stress-inflammatory-response-and-lipid-metabolism
#2
Yong Zhou, Yin-Lu Ding, Jian-Liang Zhang, Peng Zhang, Jin-Qing Wang, Zhao-Hua Li
The non-alcoholic fatty liver disease (NAFLD) has become a serious medical problem and an increasing threat to public health. It is characterized by the abnormal fat accumulation in liver without excessive alcohol intake. The concurrent NAFLD might up-regulate the risk of chronic kidney disease as well as the mortality rate. Though various drugs have been investigated to attenuate NAFLD, further study is still necessary to find new therapeutic strategy and to reveal the underlying molecular mechanism. In the present study, NAFLD animal models were induced by feeding with high fat (HF) diet for 8 weeks...
November 15, 2017: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
https://www.readbyqxmd.com/read/29156381/structure-based-methods-to-predict-mutational-resistance-to-diarylpyrimidine-non-nucleoside-reverse-transcriptase-inhibitors
#3
Syeda Maryam Azeem, Alecia N Muwonge, Nehaben Thakkar, Kristina W Lam, Kathleen M Frey
Resistance to non-nucleoside reverse transcriptase inhibitors (NNRTIs) is a leading cause of HIV treatment failure. Often included in antiviral therapy, NNRTIs are chemically diverse compounds that bind an allosteric pocket of enzyme target reverse transcriptase (RT). Several new NNRTIs incorporate flexibility in order to compensate for lost interactions with amino acid conferring mutations in RT. Unfortunately, even successful inhibitors such as diarylpyrimidine (DAPY) inhibitor rilpivirine are affected by mutations in RT that confer resistance...
November 9, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29156380/structure-based-design-of-herg-neutral-antihypertensive-oxazalone-and-imidazolone-derivatives
#4
Busecan Aksoydan, Isik Kantarcioglu, Ismail Erol, Ramin Ekhteiari Salmas, Serdar Durdagi
Angiotensin II receptor type 1 (AT1) antagonists are the most recent drug class against hypertension. Recently first crystal structure of AT1 receptor is deposited to the protein data bank (PDB ID: 4YAY). In this work, several molecular screening methods such as molecular docking and de novo design studies were performed and it is found that oxazolone and imidazolone derivatives reveal similar/better interaction energy profiles compared to the FDA approved sartan molecules at the binding site of the AT1 receptor...
October 18, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29156365/antidepressant-polypharmacy-and-the-potential-of-pharmacokinetic-interactions-doxepin-but-not-mirtazapine-causes-clinically-relevant-changes-in-venlafaxine-metabolism
#5
Michael Paulzen, Ekkehard Haen, Christoph Hiemke, Bianca Fay, Sandra Unholzer, Gerhard Gründer, Georgios Schoretsanitis
BACKGROUND: To uncover pharmacokinetic interactions between venlafaxine and doxepin or mirtazapine in a naturalistic sample. METHODS: A therapeutic drug monitoring database containing plasma concentrations of venlafaxine (VEN) and its active metabolite O-desmethylvenlafaxine (ODVEN) was analyzed. We included 1067 of 1594 patients in the analysis. Three study groups were considered; a group of patients under venlafaxine without confounding medications, V0 (n = 905), a group of patients co-medicated with doxepin, VDOX (n = 25) and a second group, co-medicated with mirtazapine, VMIR, n = 137...
November 13, 2017: Journal of Affective Disorders
https://www.readbyqxmd.com/read/29156121/the-toxmatrix-chemo-genomic-profiling-identifies-interactions-that-reveal-mechanisms-of-toxicity
#6
Zhi-Bin Tong, Ruili Huang, Yuhong Wang, Carleen Klumpp-Thomas, John Braisted, Zina Itkin, Paul Shinn, Menghang Xia, Anton Simeonov, David Gerhold
A chemical genomics 'Toxmatrix' method was developed to elucidate mechanisms of cytotoxicity using neuronal models. Quantitative high-throughput screening (qHTS) was applied to systematically screen each toxicant against a panel of 70 modulators, drugs or chemicals that act on a known target, to identify interactions that either protect or sensitize cells to each toxicant. Thirty-two toxicants were tested at 10 concentrations for cytotoxicity to SH-SY5Y human neuroblastoma cells, with results fitted to the Hill equation to determine an IC50 for each toxicant...
November 20, 2017: Chemical Research in Toxicology
https://www.readbyqxmd.com/read/29156005/abiofilm-a-resource-of-anti-biofilm-agents-and-their-potential-implications-in-targeting-antibiotic-drug-resistance
#7
Akanksha Rajput, Anamika Thakur, Shivangi Sharma, Manoj Kumar
Biofilms play an important role in the antibiotic drug resistance, which is threatening public health globally. Almost, all microbes mimic multicellular lifestyle to form biofilm by undergoing phenotypic changes to adapt adverse environmental conditions. Many anti-biofilm agents have been experimentally validated to disrupt the biofilms during last three decades. To organize this data, we developed the 'aBiofilm' resource (http://bioinfo.imtech.res.in/manojk/abiofilm/) that harbors a database, a predictor, and the data visualization modules...
November 16, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29156001/dgidb-3-0-a-redesign-and-expansion-of-the-drug-gene-interaction-database
#8
Kelsy C Cotto, Alex H Wagner, Yang-Yang Feng, Susanna Kiwala, Adam C Coffman, Gregory Spies, Alex Wollam, Nicholas C Spies, Obi L Griffith, Malachi Griffith
The drug-gene interaction database (DGIdb, www.dgidb.org) consolidates, organizes and presents drug-gene interactions and gene druggability information from papers, databases and web resources. DGIdb normalizes content from 30 disparate sources and allows for user-friendly advanced browsing, searching and filtering for ease of access through an intuitive web user interface, application programming interface (API) and public cloud-based server image. DGIdb v3.0 represents a major update of the database. Nine of the previously included 24 sources were updated...
November 16, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29155870/a-modified-delphi-study-to-determine-the-level-of-consensus-across-the-european-union-on-the-structures-processes-and-desired-outcomes-of-the-management-of-polypharmacy-in-older-people
#9
Derek Stewart, Kathrine Gibson-Smith, Katie MacLure, Alpana Mair, Albert Alonso, Carles Codina, Antonio Cittadini, Fernando Fernandez-Llimos, Glenda Fleming, Dimitra Gennimata, Ulrika Gillespie, Cathy Harrison, Ulrike Junius-Walker, Przemysław Kardas, Thomas Kempen, Moira Kinnear, Pawel Lewek, Joao Malva, Jennifer McIntosh, Claire Scullin, Birgitt Wiese
BACKGROUND: Inappropriate use of multiple medicines (inappropriate polypharmacy) is a major challenge in older people with consequences of increased prevalence and severity of adverse drug reactions and interactions, and reduced medicines adherence. The aim of this study was to determine the levels of consensus amongst key stakeholders in the European Union (EU) in relation to aspects of the management of polypharmacy in older people. METHODS: Forty-six statements were developed on aspects of healthcare structures, processes and desired outcomes, with consensus defined at ≥ 80% agreement...
2017: PloS One
https://www.readbyqxmd.com/read/29155589/the-reaction-mechanism-of-isopentenyl-phosphate-kinase-a-qm-mm-study
#10
James McClory, David J Timson, Warispreet Singh, Jian Zhang, Meilan Huang
Isopentenyl phosphate kinase (IPK) catalyzes the Mg2+-ATP dependent phosphorylation reactions to produce isopentenyl diphosphate, an important precursor in the synthesis of isopentenols. However, the position of the divalent metal ion in the crystal structures of IPK in complex with ATP and its native substrate IP has not been definitively resolved, and as a result ambiguity surrounds the catalytic mechanism of IP, limiting its exploitation as a biofuel and in drug design. Here we report the conformational change caused by substrate binding and the catalytically competent structure in complex with the metal ion Mg2+ using molecular dynamic simulations and density functional theory-based quantum mechanics/molecular mechanics calculations (B97d/AMBER99)...
November 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29155491/variation-in-the-response-of-clozapine-biotransformation-pathways-in-human-hepatic-microsomes-to-cyp1a2-and-cyp3a4-selective-inhibitors
#11
Michael Murray, Wei V Zhang, Robert J Edwards
The atypical antipsychotic agent clozapine (CLZ) is effective in many patients who are resistant to conventional antipsychotic drugs. Cytochromes P450 (CYPs) 1A2 and 3A4 oxidise CLZ to norCLZ and CLZ N-oxide in human liver. Concurrent treatment with inducers and inhibitors of CYP1A2 modulates CLZ elimination that disrupts therapy. Drug-drug interactions involving CYP3A4 are also significant but less predictable. To further characterise the factors underlying these interactions, we used samples from a cohort of human livers to assess variation in CLZ oxidation pathways in relation to intrinsic CYP3A4 and CYP1A2 activities and the effects of the corresponding selective inhibitors ketoconazole (0...
November 20, 2017: Basic & Clinical Pharmacology & Toxicology
https://www.readbyqxmd.com/read/29155407/synthesis-of-porous-gdf3-er-3-yb-3-cooh-core-shell-structured-bi-functional-nanoparticles-for-drug-delivery
#12
Hongxia Peng, Ouyang Jundai, Jin Wen, Yangxi Peng
The authors synthesised porous GdF3:Er(3+),Yb(3+)-COOH core-shell structured bi-functional nanoparticles through a one-step hydrothermal route during which ethylene diamine tetraacetic acid) was bound to the surface of the nanoparticles. It has high up-conversion emission intensity for monitoring the drug release process and magnetisation saturation value (10.2 emu/g) for drug targeting under foreign magnetic fields. Moreover, porous GdF3:Er(3+),Yb(3+) as drug carriers with a high drug-loading efficiency...
December 2017: IET Nanobiotechnology
https://www.readbyqxmd.com/read/29155388/polyelectrolyte-multilayers-for-bio-applications-recent-advancements
#13
REVIEW
Suman Pahal, Ruchi Gakhar, Ashok M Raichur, Manoj M Varma
The synergistic relationship between structure and the bulk properties of polyelectrolyte multilayer (PEM) films has generated tremendous interest in their application for loading and release of bioactive species. Layer-by-layer assembly is the simplest, cost effective process for fabrication of such PEMs films, leading to one of the most widely accepted platforms for incorporating biological molecules with nanometre precision. The bulk reservoir properties of PEM films render them a potential candidate for applications such as biosensing, drug delivery and tissue engineering...
December 2017: IET Nanobiotechnology
https://www.readbyqxmd.com/read/29155058/foxo-1-contributes-to-the-efficacy-of-the-combination-of-the-xpo1-inhibitor-selinexor-and-cisplatin-in-ovarian-carcinoma-preclinical-models
#14
Cristina Corno, Simone Stucchi, Michelandrea De Cesare, Nives Carenini, Serena Stamatakos, Emilio Ciusani, Lucia Minoli, Eugenio Scanziani, Christian Argueta, Yosef Landesman, Nadia Zaffaroni, Laura Gatti, Paola Perego
The XPO1/CRM1 inhibitor selinexor (KPT-330), is currently being evaluated in multiple clinical trials as an anticancer agent. XPO1 participates in the nuclear export of FoxO-1, which we previously found to be decreased in platinum-resistant ovarian carcinoma. The aim of this study was to determine whether enriching FoxO-1 nuclear localization using selinexor would increase ovarian cancer cell sensitivity to cisplatin. Selinexor, as a single agent, displayed a striking antiproliferative effect in different ovarian carcinoma cell lines...
November 16, 2017: Biochemical Pharmacology
https://www.readbyqxmd.com/read/29155017/p-glycoprotein-mdr1-abcb1-and-breast-cancer-resistance-protein-bcrp-abcg2-affect-brain-accumulation-and-intestinal-disposition-of-encorafenib-in-mice
#15
Jing Wang, Changpei Gan, Rolf W Sparidans, Els Wagenaar, Stéphanie van Hoppe, Jos H Beijnen, Alfred H Schinkel
Encorafenib (LGX818) is a promising BRAF(V600E) inhibitor that has efficacy against metastatic melanoma. To better understand its pharmacokinetics, we studied its interactions with the multidrug efflux transporters ABCB1 and ABCG2 and the multidrug metabolizing enzyme CYP3A. In polarized MDCK-II cells, encorafenib was efficiently transported by canine and human ABCB1 and ABCG2 and by mouse Abcg2. Upon oral administration to wild-type, Abcb1a/1b(-/-), Abcg2(-/-), and Abcb1a/1b;Abcg2(-/-) mice, encorafenib was absorbed very quickly and to very high plasma levels, but without clear changes in oral availability between the strains...
November 14, 2017: Pharmacological Research: the Official Journal of the Italian Pharmacological Society
https://www.readbyqxmd.com/read/29154882/interaction-of-novel-twin-tailed-oxy-diester-functionalized-surfactant-with-lysozyme-spectroscopic-and-computational-perspective
#16
Imtiyaz Ahmad Bhat, Waseem Feeroze Bhat, Mohd Akram, Kabir-Ud-Din
Herein, we have examined the interaction of oxy-diester novel twin tailed (gemini) surfactant, 2,2(')-[(oxybis(ethane-1,2-diyl))bis(oxy)]bis(N-hexadecyl-N,Ndimethyl-2-oxoethanaminium) dichloride (C16-E2O-C16) with hen egg white lysozyme (HEWL), utilizing a spectroscopic and molecular docking techniques. Steady-state fluorescence infers ground state C16-E2O-C16-HEWL complex formation. Other spectroscopic results validated the conformational, structural and micro-environmental changes in HEWL upon interaction with C16-E2O-C16...
November 14, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29154799/integrative-omics-data-analyses-of-repeated-dose-toxicity-of-valproic-acid-in-vitro-reveal-new-mechanisms-of-steatosis-induction
#17
Simone G J van Breda, Sandra M H Claessen, Marcel van Herwijnen, Daniël H J Theunissen, Danyel G J Jennen, Theo M C M de Kok, Jos C S Kleinjans
Valproic acid (VPA) is a very potent anti-cancer and neuro-protective drug probably by its HCAC inhibiting properties, which may cause steatosis in the liver. The present study investigates the effect of repetitive VPA treatment of primary human hepatocytes (PHH) on whole genome gene expression-, DNA methylation-, and miRNA changes, using microarrays and integrated data analyses. PHH were exposed to a non-cytotoxic dose of VPA for 5days daily which induced lipid accumulation. Part of the PHH was left untreated for 3days for studying the persistence of 'omics' changes...
November 14, 2017: Toxicology
https://www.readbyqxmd.com/read/29154400/a-chiral-enantioseparation-generic-strategy-for-anti-alzheimer-and-antifungal-drugs-by-short-end-injection-capillary-electrophoresis-using-an-experimental-design-approach
#18
Ahmed M Abdel-Megied, Rasha S Hanafi, Hassan Y Aboul-Enein
The present study describes a generic strategy using capillary electrophoretic (CE) method for chiral enantioseparation of anti-Alzheimer drugs, namely, donepezil (DON), rivastigmine (RIV), and antifungal drugs, namely, ketoconazole (KET), Itraconazole (ITR), fluconazole (FLU), and sertaconazole (SRT) in which these drugs have different basic and acidic properties. Several modified cyclodextrins (CDs) were applied for enantioseparation of racemates such as highly sulfated α, γ CDs, hydroxyl propyl-β-CD, and Sulfobutyl ether-β-CD...
November 20, 2017: Chirality
https://www.readbyqxmd.com/read/29154254/preparation-and-characterization-of-self-assembly-hydrogels-with-exfoliated-montmorillonite-nanosheets-and-chitosan
#19
Wei Wang, Yunliang Zhao, Hao Yi, Tianxing Chen, Shichang Kang, Hongqiang Li, Shaoxian Song
Novel montmorillonite-nanosheets/chitosan (MMTNS/CS) hydrogels fabricated via self-assembly of exfoliated MMTNS and CS chains were investigated. The exfoliation of MMTNS, self-assembly mechanism and structure of MMTNS/CS hydrogels were characterized by AFM, SEM, TEM, FTIR, EDS and BET, respectively. The results indicated that MMT could be easily exfoliated to nanosheets with thickness of 1~5 nm in aqueous solution by ultrasonic base on interlayer hydration. The formation mechanism of the self-assembly hydrogels was due to the hydrogen-bond (-OH ··· +NH3-) and electrostatic interaction between the MMTNS and CS...
November 20, 2017: Nanotechnology
https://www.readbyqxmd.com/read/29154189/novel-theranostic-zinc-phthalocyanine-phospholipid-complex-self-assembled-nanoparticles-for-imaging-guided-targeted-photodynamic-treatment-with-controllable-ros-production-and-shape-assisted-enhanced-cellular-uptake
#20
Jinyuan Ma, Yang Li, Guihua Liu, Ai Li, Yilin Chen, Xinyi Zhou, Dengyue Chen, Zhenqing Hou, Xuan Zhu
The novel drug delivery system based on self-assembly of zinc phthalocyanine-soybean phosphatidylcholine (ZnPc-SPC) complex was developed by a co-solvent method followed by a nanoprecipitaion technique. DSPE-PEG-methotrexate (DSPE-PEG-MTX) was introduced on the surface of ZnPc-SPC self-assembled nanoparticles (ZS) to endow them with folate receptor-targeting property. NMR, XRD, FTIR, and UV-vis-NIR analysis demonstrated the weak molecular interaction between ZnPc and SPC. The ZS functionalized with DSPE-PEG-MTX (ZSPM) was successfully constructed with an average particle size of ∼170nm, a narrow size distribution, and could remain physiologically stable for at least 7days...
October 24, 2017: Colloids and Surfaces. B, Biointerfaces
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