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https://www.readbyqxmd.com/read/29776535/multi-residue-analysis-of-pesticides-in-surface-water-by-liquid-chromatography-quadrupole-orbitrap-high-resolution-tandem-mass-spectrometry
#1
J Casado, D Santillo, P Johnston
A quantitative targeted screening method for the determination of residues of a broad group of more than 250 pesticides in surface water samples was developed and validated. Substances were isolated from the sample matrix by solid-phase extraction (SPE), using hydrophilic-lipophilic balanced polymeric sorbents (HLB), and analysed by reversed-phase liquid chromatography (LC) - Orbitrap high-resolution mass spectrometry (HRMS). Compounds were quantified in full scan acquisition mode, while accurate data dependant MS2 analysis was simultaneously triggered for the unambiguous identification of the targeted substances...
September 18, 2018: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29776460/validation-of-the-betastar-%C3%A2-advanced-for-beta-lactams-test-kit-for-the-screening-of-bulk-tank-and-tanker-truck-milks-for-the-presence-of-beta-lactam-drug-residues
#2
Andrew Denhartigh, Lindsay Reynolds, Katherine Palmer, Frank Klein, Jennifer Rice, John J Rejman
A validation study was conducted for an immunochromatographic method (BetaStar® Advanced for Beta-lactams) for the detection of beta-lactam residues in raw, commingled bovine milk. The assay detected amoxicillin, ampicillin, cloxacillin, penicillin, cephapirin, and ceftiofur below the U.S. Food and Drug Administration tolerance levels but above the maximum sensitivity thresholds established by the National Conference on Interstate Milk Shipments. The results of internal and independent laboratory dose-response studies employing spiked samples were in agreement...
May 18, 2018: Journal of AOAC International
https://www.readbyqxmd.com/read/29775968/in-silico-structure-prediction-and-inhibition-mechanism-studies-of-athda14-as-revealed-by-homology-modeling-docking-molecular-dynamics-simulation
#3
Ming-Lang Zhao, Wang Wang, Hu Nie, Sha-Sha Cao, Lin-Fang Du
Histone deacetylases (HDACs) play a significant role in the epigenetic mechanism by catalyzing deacetylation of lysine on histone in both animals and plants. HDACs involved in growth, development and response to stresses in plants. Arabidopsis thaliana histone deacetylase 14 (AtHDA14) is found to localize in the mitochondria and chloroplasts, and it involved in photosynthesis and melatonin biosynthesis. However, its mechanism of action was still unknowns so far. Therefore, in this study, we constructed AtHDA14 protein model using homology modeling method, validated using PROCHECK and presented using Ramachandran plots...
May 6, 2018: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/29772714/modulating-chemosensitivity-of-tumors-to-platinum-based-antitumor-drugs-by-transcriptional-regulation-of-copper-homeostasis
#4
REVIEW
Yu-Hsuan Lai, Chin Kuo, Macus Tien Kuo, Helen H W Chen
Platinum (Pt)-based antitumor agents have been effective in treating many human malignancies. Drug importing, intracellular shuffling, and exporting-carried out by the high-affinity copper (Cu) transporter ( hCtr1 ), Cu chaperone (Ato x1), and Cu exporters (ATP7A and ATP7B), respectively-cumulatively contribute to the chemosensitivity of Pt drugs including cisplatin and carboplatin, but not oxaliplatin. This entire system can also handle Pt drugs via interactions between Pt and the thiol-containing amino acid residues in these proteins; the interactions are strongly influenced by cellular redox regulators such as glutathione...
May 16, 2018: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29772403/theoretical-study-of-the-intermolecular-recognition-mechanism-between-survivin-and-substrate-based-on-conserved-binding-mode-analysis
#5
Chao Wu, Liguang Mao, Xie Huang, Weitao Fu, Xiong Cai, Yuepiao Cai, Liqun Shen, Xiaoxia Ye
Survivin is the smallest member of IAP (inhibitor of apoptosis protein) family, which plays important roles in both mitosis and apoptosis. It has become an attractive drug target due to its overexpression in many human cancers. Survivin has been proven to bind to Smac/DIABLO protein that indirectly inhibits apoptosis. Meanwhile, it is the key subunit of chromosome passenger complex (CPC) which bind to the N-terminal tail of phosphorylated histone H3T3ph during mitosis. Up to now, Survivin directly targeting inhibitor has yet to merge since the difficulty of disrupting the protein-protein interactions (PPIs) between Survivin and its substrate proteins...
May 8, 2018: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29770801/corrigendum-monte-carlo-simulations-suggest-current-chlortetracycline-drug-residue-based-withdrawal-periods-would-not-control-antimicrobial-resistance-dissemination-from-feedlot-to-slaughterhouse
#6
Casey L Cazer, Lucas Ducrot, Victoriya V Volkova, Yrjö T Gröhn
[This corrects the article on p. 1753 in vol. 8, PMID: 29033901.].
2018: Frontiers in Microbiology
https://www.readbyqxmd.com/read/29770699/lysine-succinylation-and-acetylation-in-pseudomonas-aeruginosa
#7
Charlotte Gaviard, Isabelle Broutin, Pascal Cosette, Emmanuelle De, Thierry Jouenne, Julie Hardouin
Pseudomonas aeruginosa is a Multi-Drug Resistant human opportunistic pathogen largely involved in nosocomial infections. Unfortunately, effective antibacterial agents lacked. Explore its physiology at the post-translational modifications (PTMs) level may contribute to the renewal of combat tactics. Recently, lysine succinylation was discovered in bacteria and seems to be an interesting PTM. Here, we present the first succinylome and acetylome of P. aeruginosa PA14 cultured in the presence of 4 different carbon sources, using a two-dimensional immunoaffinity approach coupled with nano-liquid chromatograpy tandem mass spectrometry...
May 17, 2018: Journal of Proteome Research
https://www.readbyqxmd.com/read/29770563/extending-the-scope-of-amantadine-drug-by-incorporation-of-phenolic-azo-schiff-bases-as-potent-selective-inhibitors-of-carbonic-anhydrase-ii-drug-likeness-and-binding-analysis
#8
Pervaiz Ali Channar, Aamer Saeed, Danish Shahzad, Fayaz Ali Larik, Mubashir Hassan, Hussain Raza, Qamar Abbas, Sung-Yum Seo
A series of Amantadine based azo Schiff base dyes 6a-6e have been synthesized and characterized by 1 H NMR and 13 C NMR and evaluated for their in vitro carbonic anhydrase II inhibition activity and antioxidant activity. All of the synthesized showed excellent carbonic inhibition. Compound 6b was found to be the most potent derivative in the series, the IC50 of 6b was found to be 0.0849 ± 0.00245μM (standard Acetazolamide IC50 =0.9975±0.049μM). The binding interactions of the most active analogs were confirmed through molecular docking studies...
May 16, 2018: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/29770561/investigating-the-interaction-of-anticancer-drug-temsirolimus-with-human-transferrin-molecular-docking-and-spectroscopic-approach
#9
Anas Shamsi, Azaj Ahmed, Mohd Shahnawaz Khan, Fohad Mabood Husain, Samreen Amani, Bilqees Bano
In our present study, binding between an important anti renal cancer drug temsirolimus and human transferrin (hTF) was investigated employing spectroscopic and molecular docking approach. In the presence of temsirolimus, hyper chromaticity is observed in hTF in UV spectroscopy suggestive of complex formation between hTF and temsirolimus. Fluorescence spectroscopy revealed the occurrence of quenching in hTF in the presence of temsirolimus implying complex formation taking place between hTF and temsirolimus. Further, the mode of interaction between hTF and temsirolimus was revealed to be static by fluorescence quenching analysis at 3 different temperatures...
May 16, 2018: Journal of Molecular Recognition: JMR
https://www.readbyqxmd.com/read/29770128/critical-functions-of-region-1-67-and-helix-xiii-in-retaining-the-active-structure-of-nhad-antiporter-in-halomonas-sp-y2
#10
Zhou Yang, Yiwei Meng, Qi Zhao, Bin Cheng, Ping Xu, Chunyu Yang
NhaD-type antiporters are mainly distributed in various Proteobacteria , especially in marine microorganisms and human pathogens. This distribution as well as the pathogenic properties of these strains suggest that these antiporters contribute to the regulation of high osmoregulation and are potential drug targets. Two NhaD homologs, NhaD1 and NhaD2, from the halotolerant and alkaliphilic Halomonas sp. Y2 exhibits similar, high in vitro activity, but remarkably different in vivo functions. To search for critical domains or residues involved in these differences of physiological functions, various chimeras composed of NhaD1 and NhaD2 segments were generated...
2018: Frontiers in Microbiology
https://www.readbyqxmd.com/read/29769724/structural-basis-for-gating-pore-current-in-periodic-paralysis
#11
Daohua Jiang, Tamer M Gamal El-Din, Christopher Ing, Peilong Lu, Régis Pomès, Ning Zheng, William A Catterall
Potassium-sensitive hypokalaemic and normokalaemic periodic paralysis are inherited skeletal muscle diseases characterized by episodes of flaccid muscle weakness1,2 . They are caused by single mutations in positively charged residues ('gating charges') in the S4 transmembrane segment of the voltage sensor of the voltage-gated sodium channel Nav 1.4 or the calcium channel Cav 1.11,2 . Mutations of the outermost gating charges (R1 and R2) cause hypokalaemic periodic paralysis1,2 by creating a pathogenic gating pore in the voltage sensor through which cations leak in the resting state3,4 ...
May 16, 2018: Nature
https://www.readbyqxmd.com/read/29769011/evolving-strategies-for-the-treatment-of-t-cell-lymphoma-a-systematic-review-and-recent-patents
#12
Kamel Laribi, Mustapha Alani, Catherine Truong, Alix Baugier de Materre
OBJECTIVE: Mature T-cell lymphomas are a heterogeneous group of T-cell malignancies with a poor outcome. The discovery of new molecular biomarkers has led to the emergence of new drugs in recent years that target various signaling pathways. METHOD: We examined all pertinent published patents through 2015 that analyzed novel methods for the diagnosis and treatment of T cell lymphoma, as well as related published and unpublished studies. Selection criteria were established before data collection...
May 16, 2018: Recent Patents on Anti-cancer Drug Discovery
https://www.readbyqxmd.com/read/29768984/anti-cancer-study-and-whey-protein-complexation-of-new-lanthanum-iii-complex-with-the-aim-of-achieving-bioactive-anticancer-metal-based-drugs
#13
Somaye Shahraki, Fereshteh Shiri, Mostafa Heidari Majd, Somaye Dahmardeh
In this study a new lanthanum (III)-amino acid complex utilizing cysteine has been synthesized and characterized. The anticancer activities of the prepared La(III) complex against MCF-7 cell lines were studied. Results of MTT assay showed that at all three incubation times, the cytotoxic effect of prepared La(III) complex on MCF-7 breast cancer cell lines displays a time- and dose-dependent inhibitory effects. The interactions of the La(III) complex with two whey proteins (bovine serum albumin, BSA, and Bovine β-lactoglobulin, βLG) have been explored by using spectroscopic and molecular dicking methods...
May 17, 2018: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/29767194/qm-mm-simulations-identify-the-determinants-of-catalytic-activity-differences-between-type-ii-dehydroquinase-enzymes
#14
Emilio Lence, Marc W van der Kamp, Concepción González-Bello, Adrian J Mulholland
Type II dehydroquinase enzymes (DHQ2), recognized targets for antibiotic drug discovery, show significantly different activities dependent on the species: DHQ2 from Mycobacterium tuberculosis (MtDHQ2) and Helicobacter pylori (HpDHQ2) show a 50-fold difference in catalytic efficiency. Revealing the determinants of this activity difference is important for our understanding of biological catalysis and further offers the potential to contribute to tailoring specificity in drug design. Molecular dynamics simulations using a quantum mechanics/molecular mechanics potential, with correlated ab initio single point corrections, identify and quantify the subtle determinants of the experimentally observed difference in efficiency...
May 16, 2018: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/29765472/development-of-novel-cyclic-ngr-peptide-daunomycin-conjugates-with-dual-targeting-property
#15
Andrea Angelo Pierluigi Tripodi, Szilárd Tóth, Kata Nóra Enyedi, Gitta Schlosser, Gergely Szakács, Gábor Mező
Cyclic NGR peptides as homing devices are good candidates for the development of drug conjugates for targeted tumor therapy. In our previous study we reported that the Dau=Aoa-GFLGK(c[KNGRE]-GG-)-NH2 conjugate has a significant antitumor activity against both CD13+ HT-1080 human fibrosarcoma and CD13- but integrin positive HT-29 human colon adenocarcinoma cells. However, it seems that the free ε-amino group of Lys in the cycle is not necessary for the biological activity. Therefore, we developed novel cyclic NGR peptide-daunomycin conjugates in which Lys was replaced by different amino acids (Ala, Leu, Nle, Pro, Ser)...
2018: Beilstein Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29763317/chemoproteomic-profiling-reveals-ethacrynic-acid-targets-adenine-nucleotide-translocases-to-impair-mitochondrial-function
#16
Zi Ye, Xiaoyun Zhang, Yuangang Zhu, Tong Song, Xiaowei Chen, Xiaoguang Lei, Chu Wang
Ethacrynic acid (EA) is a diuretic drug that is widely used to treat high-blood pressure and swelling caused by congestive heart failure or kidney failure. It acts through noncovalent inhibition of the Na+ -K+ -2Cl- cotransporter in the thick ascending limb of Henle's loop. Chemically, EA contains a Michael acceptor group that can react covalently with nucleophilic residues in proteins; however, the proteome reactivity of EA remains unexplored. Herein, we took a quantitative chemoproteomic approach to globally profile EA's targets in cancer cells...
May 15, 2018: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/29761349/intracochlear-administration-of-steroids-with-a-catheter-during-human-cochlear-implantation-a-safety-and-feasibility-study
#17
Nils K Prenzler, Rolf Salcher, Max Timm, Lutz Gaertner, Thomas Lenarz, Athanasia Warnecke
Suppression of foreign body reaction, improvement of electrode-nerve interaction, and preservation of residual hearing are essential research topics in cochlear implantation. Intracochlear pharmaco- or cell-based therapies can open new horizons in this field. Local drug delivery strategies are desirable as higher local concentrations of agents can be realized and side effects can be minimized compared to systemic administrations. When administered locally at accessible, basal parts of the cochlea, drugs reach apical regions later and in much lower concentrations due to poor diffusion patterns in cochlear fluids...
May 14, 2018: Drug Delivery and Translational Research
https://www.readbyqxmd.com/read/29761048/crystallization-and-structure-analysis-of-the-core-motif-of-the-pks13-acyltransferase-domain-from-mycobacterium-tuberculosis
#18
Mingjing Yu, Chao Dou, Yijun Gu, Wei Cheng
Type I polyketide synthase 13 (Pks13) is involved in the final step of the biosynthesis of mycolic acid in Mycobacterium tuberculosis . Recent articles have reported that Pks13 is an essential enzyme in the mycolic acid biosynthesis pathway, and it has been deeply studied as a drug target in Tuberculosis. We report a high-resolution structure of the acyltransferase (AT) domain of Pks13 at 2.59 Å resolution. Structural comparison with the full-length AT domain (PDB code, 3TZW, and 3TZZ) reveals a different orientation of the C-terminal helix and rearrangement of some conserved residues...
2018: PeerJ
https://www.readbyqxmd.com/read/29760678/controversial-role-of-kisspeptins-kiss-1r-signaling-system-in-tumor-development
#19
REVIEW
Federica Fratangelo, Maria Vincenza Carriero, Maria Letizia Motti
KiSS-1 was first described as a metastasis suppressor gene in malignant melanoma. KiSS-1 encodes a 145 amino-acid residue peptide that is further processed, producing the 54 amino acid metastin and shorter peptides collectively named kisspeptins (KPs). KPs bind and activate KiSS-1R (GPR54). Although the KPs system has been extensively studied for its role in endocrinology of reproductive axis in mammals, its role in cancer is still controversial. Experimental evidences show that KP system exerts an anti-metastatic effect by the regulation of cellular migration and invasion in several cancer types...
2018: Frontiers in Endocrinology
https://www.readbyqxmd.com/read/29760386/rapid-labelling-and-covalent-inhibition-of-intracellular-native-proteins-using-ligand-directed-n-acyl-n-alkyl-sulfonamide
#20
Tomonori Tamura, Tsuyoshi Ueda, Taiki Goto, Taku Tsukidate, Yonatan Shapira, Yuki Nishikawa, Alma Fujisawa, Itaru Hamachi
Selective modification of native proteins in live cells is one of the central challenges in recent chemical biology. As a unique bioorthogonal approach, ligand-directed chemistry recently emerged, but the slow kinetics limits its scope. Here we successfully overcome this obstacle using N-acyl-N-alkyl sulfonamide as a reactive group. Quantitative kinetic analyses reveal that ligand-directed N-acyl-N-alkyl sulfonamide chemistry allows for rapid modification of a lysine residue proximal to the ligand binding site of a target protein, with a rate constant of ~104  M-1  s-1 , comparable to the fastest bioorthogonal chemistry...
May 14, 2018: Nature Communications
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