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https://www.readbyqxmd.com/read/28551619/structure-activity-relationship-of-niclosamide-derivatives
#1
Zhonghai Tang, Ulyana Muñoz Acuña, Nelson Freitas Fernandes, Somsundaram Chettiar, Pui-Kai Li, Esperanza Carcache DE Blanco
BACKGROUND/AIM: Cancer is a leading cause of death. Hence, this study aimed at the optimization of niclosamide derivatives for the development of new potential anticancer agents. MATERIALS AND METHODS: Niclosamide derivatives were synthesized and tested against a panel of human cancer cells: MDA and MCF7 breast cancer cells, PC3 and DU-145 prostate cancer cells, Hela cervical cancer cells, and HL-60 acute promyelocytic leukemia cells. They were also tested in nuclear factor-ĸappa B (NFĸB), V-Ki-ras2 Kirsten rat sarcoma viral oncogene (KRAS), and mitochondria transmembrane potential (MTP) assays...
June 2017: Anticancer Research
https://www.readbyqxmd.com/read/28551405/characterisation-of-conformational-and-functional-features-of-alkyl-hydroperoxide-reductase-e-like-protein
#2
Sangmin Lee, Hyeongseop Jeong, Ju Huck Lee, Jeong Min Chung, Rumi Kim, Hyung Joong Yun, Jonghan Won, Hyun Suk Jung
Alkyl hydroperoxide reductase E (AhpE) is a member of the peroxidase family of enzymes that catalyse the reduction of peroxides, however its structural and functional roles are still unclear in details. In this study, we used the Thermococcus kodakarensis AhpE-like protein as a model to investigate structure-function relationships including the molecular properties of DNA binding activity. Multiple sequence alignment, structural comparison and biochemical analyses revealed that TkAhpE includes conserved peroxidase residues in the active site, and exhibits peroxidase activity with structure-dependent holdase chaperone function...
May 24, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/28550810/rigid-aromatic-linking-moiety-in-cationic-lipids-for-enhanced-gene-transfection-efficiency
#3
Bing Wang, Rui-Mo Zhao, Ji Zhang, Yan-Hong Liu, Zheng Huang, Qing-Ying Yu, Xiao-Qi Yu
Although numerous cationic lipids have been developed as non-viral gene vectors, the structure-activity relationship (SAR) of these materials remains unclear and needs further investigation. In this work, a series of lysine-derived cationic lipids containing linkages with different rigidity were designed and synthesized. SAR studies showed that lipids with rigid aromatic linkage could promote the formation of tight liposomes and enhance DNA condensation, which is essential for the gene delivery process. These lipids could give much higher transfection efficiency than those containing more flexible aliphatic linkage in various cell lines...
May 17, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28549734/synthesis-and-anti-proliferative-activity-of-a-small-library-of-7-substituted-5h-pyrrole-1-2-a-3-1-benzoxazin-5-one-derivatives
#4
Mariateresa Badolato, Gabriele Carullo, Biagio Armentano, Salvatore Panza, Rocco Malivindi, Francesca Aiello
In this study, we investigate the anti-proliferative activity of a small library of 7-substituted 5H-pyrrolo[1,2-a][3,1]benzoxazin-5-one derivatives, against a panel of human cancer cell lines. We reported the synthesis of these compounds in a previous work. 7-Bromo-5H-benzo[d]pyrrolo[2,1-b][1,3]oxazin-5-one showed a promising anti-proliferative effect. As starting material for Suzuki-Miyaura cross coupling reaction, it was selected for the design and the synthesis of six further derivatives, with the aim to better define structure-activity relationships...
May 15, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28549311/reaction-of-diazepam-and-related-benzodiazepines-with-chlorine-kinetics-transformation-products-and-in-silico-toxicological-assessment
#5
Inmaculada Carpinteiro, Rosario Rodil, José Benito Quintana, Rafael Cela
In this work, the reaction of four benzodiazepines (diazepam, oxazepam, nordazepam and temazepam) during water chlorination was studied by means of liquid chromatography-quadrupole-time of flight-mass spectrometry (LC-QTOF-MS). For those compounds that showed a significant degradation, i.e. diazepam, oxazepam and nordazepam, parameters affecting to the reaction kinetics (pH, chlorine and bromide level) were studied in detail and transformation products were tentatively identified. The oxidation reactions followed pseudofirst-order kinetics with rate constants in the range of 1...
May 3, 2017: Water Research
https://www.readbyqxmd.com/read/28548834/subtly-modulating-glycogen-synthase-kinase-3-%C3%AE-allosteric-inhibitors-development-and-their-potential-for-the-treatment-of-chronic-diseases
#6
Valle Palomo, Daniel I Pérez, Carlos Roca, Cara Anderson, Natalia Rodriguez-Muela, Concepción Pérez, Jose A Morales-Garcia, Julio A Reyes, Nuria E Campillo, Ana M Pérez-Castillo, Lee L Rubin, Lubov T Timchenko, Carmen Gil, Ana Martínez
Glycogen synthase kinase 3 β (GSK-3β) is a central target in several unmet diseases. To increase the specificity of GSK-3β inhibitors in chronic treatments we are developing small molecules allowing subtle modulation of GSK-3β activity. Design synthesis, structure-activity relationships and binding mode of quinoline-3-carbohydrazide derivatives as allosteric modulators of GSK-3β are here presented. Furthermore, we show how allosteric binders may overcome the β-catenin side effects associated to strong GSK-3β inhibition...
May 26, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28548833/structure-activity-relationship-for-small-molecule-inhibitors-of-nicotinamide-n-methyltransferase
#7
Harshini Neelakantan, Hua-Yu Wang, Virginia Vance, Jonathan D Hommel, Stanton F McHardy, Stanley J Watowich
Nicotinamide N-methyltransferase (NNMT) is a fundamental cytosolic biotransforming enzyme that catalyzes the N-methylation of endogenous and exogenous xenobiotics. We have identified small molecule inhibitors of NNMT with >1000-fold range of activity and developed comprehensive structure-activity relationships (SARs) for NNMT inhibitors. Screening of N-methylated quinolinium, isoquinolinium, pyrididium, and benzimidazolium/benzothiazolium analogs resulted in the identification of quinoliniums as a promising scaffold with very low micromolar (IC50 ~1 μM) NNMT inhibition...
May 26, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28548497/discovery-of-a-human-neuromedin-u-receptor-1-selective-hexapeptide-agonist-with-enhanced-serum-stability
#8
Kentaro Takayama, Kenji Mori, Akiko Tanaka, Erina Nomura, Yuko Sohma, Miwa Mori, Akihiro Taguchi, Atsuhiko Taniguchi, Toshiyasu Sakane, Akira Yamamoto, Naoto Minamino, Mikiya Miyazato, Kenji Kangawa, Yoshio Hayashi
Neuromedin U (NMU), activates two NMU receptors (NMUR1 and NMUR2), and is a useful anti-obesity drug lead. We report discovery of a hexapeptide agonist, 2-thienylacetyl-Trp(1)-Phe(4-F)(2)-Arg(3)-Pro(4)-Arg(5)-Asn(6)-NH2 (4). However, the NMUR1 selectivity and serum stability of this agonist were unsatisfactory. Through a structure-activity relationship study focused on residue 2 of agonist 4, serum stability, and pharmacokinetic properties, we report here the discovery of a novel NMUR1 selective hexapeptide agonist 7b that suppresses body weight gain in mice...
May 26, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28548263/remembering-my-friends-medial-prefrontal-and-hippocampal-contributions-to-the-self-reference-effect-on-face-memories-in-a-social-context
#9
Rie Yamawaki, Kimihiro Nakamura, Toshihiko Aso, Yayoi Shigemune, Hidenao Fukuyama, Takashi Tsukiura
Memories associated with the self are remembered more accurately than those associated with others. The memory enhancement related to the self is known as the self-reference effect (SRE). However, little is known regarding the neural mechanisms underlying the SRE in a social context modulated by social relationships. In the present fMRI study, we investigated encoding-related activation of face memories encoded with the self-referential process in a social context that was manipulated by imagining a person-to-person relationship...
May 26, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28548189/-physical-activity-obesity-and-self-esteem-in-chilean-schoolchildren
#10
Félix Zurita-Ortega, Manuel Castro-Sánchez, Sonia Rodríguez-Fernández, Cristian Cofré-Boladós, Ramón Chacón-Cuberos, Asunción Martínez-Martínez, José Joaquín Muros-Molina
BACKGROUND: Obesity is a worldwide epidemic disease and a problem for the Chilean society. AIM: To analyze the relationship between physical condition, body mass index (BMI), level of physical activity and self-esteem. Material ad Methods: Questionnaires to assess self-esteem (Rosemberg scale) and levels of physical activity (Physical Activity Questionnaire for older Children, PAQ-C) were answered by 515 children aged 10.5 ± 0.5 years from 27 schools of Santiago de Chile...
March 2017: Revista Médica de Chile
https://www.readbyqxmd.com/read/28547897/mannich-curcuminoids-as-potent-anticancer-agents
#11
Márió Gyuris, László Hackler, Lajos I Nagy, Róbert Alföldi, Eszter Rédei, Annamária Marton, Tibor Vellai, Nóra Faragó, Béla Ózsvári, Anasztázia Hetényi, Gábor K Tóth, Péter Sipos, Iván Kanizsai, László G Puskás
A series of novel curcuminoids were synthesised for the first time via a Mannich-3CR/organocatalysed Claisen-Schmidt condensation sequence. Structure-activity relationship (SAR) studies were performed by applying viability assays and holographic microscopic imaging to these curcumin analogues for anti-proliferative activity against A549 and H1975 lung adenocarcinoma cells. The TNFα-induced NF-κB inhibition and autophagy induction effects correlated strongly with the cytotoxic potential of the analogues. Significant inhibition of tumour growth was observed when the most potent analogue 44 was added in liposomes at one-sixth of the maximally tolerated dose in the A549 xenograft model...
May 26, 2017: Archiv der Pharmazie
https://www.readbyqxmd.com/read/28547390/mono-substitution-effects-on-antimicrobial-activity-of-stapled-heptapeptides
#12
Huy X Luong, Do-Hee Kim, Ngoan T Mai, Bong-Jin Lee, Young-Woo Kim
We previously reported a de novo design of antimicrobial heptapeptide helices using Verdine's all-hydrocarbon peptide stapling system. One of the important structure-activity relationships we found from these previous studies was that extending of the hydrophobic face by replacing of alanine with leucine in positon 5 increases antimicrobial activity. In this study, to further improve the activity profile of this peptide series, we investigated the substitution effects of position 5 on conformational and proteolytic stability as well as antimicrobial and hemolytic activity...
May 25, 2017: Archives of Pharmacal Research
https://www.readbyqxmd.com/read/28547135/sedentary-behaviour-and-bone-health-in-children-adolescents-and-young-adults-a-systematic-review
#13
REVIEW
J B Koedijk, J van Rijswijk, W A Oranje, J P van den Bergh, S P Bours, H H Savelberg, N C Schaper
Sedentary behaviour (SB) is increasing in Western societies and some studies suggest a deleterious effect of SB on bone. The aim of this systematic review was to examine the association between SB and bone health in children, adolescents and young adults. Electronic databases (PubMed, MEDLINE, PsycINFO and Science Citation Index) were searched for relevant articles up to January 9, 2017. Studies were included when results on bone health (e.g. strength, mass and structure) and either subjectively (questionnaires) or objectively (accelerometry) measured SB were reported in healthy participants ≤24 years...
May 26, 2017: Osteoporosis International
https://www.readbyqxmd.com/read/28546787/pepsinogen-c-expression-regulation-and-its-relationship-with-cancer
#14
REVIEW
Shixuan Shen, Jingyi Jiang, Yuan Yuan
Pepsinogen C (PGC) belongs to the aspartic protease family and is secreted by gastric chief cells. PGC could be activated to pepsin C and digests polypeptides and amino acids, but as a zymogen PGC's functions is unclear. In normal physiological conditions, PGC is initially detected in the late embryonic stage and is mainly expressed in gastric mucosa. The in situ expression of PGC in gastric mucosa is decreased considerably in the process of superficial gastritis → atrophic gastritis → gastric cancer (GC), proving that PGC is a comparatively ideal negative marker of GC...
2017: Cancer Cell International
https://www.readbyqxmd.com/read/28546583/hybridizing-feature-selection-and-feature-learning-approaches-in-qsar-modeling-for-drug-discovery
#15
Ignacio Ponzoni, Víctor Sebastián-Pérez, Carlos Requena-Triguero, Carlos Roca, María J Martínez, Fiorella Cravero, Mónica F Díaz, Juan A Páez, Ramón Gómez Arrayás, Javier Adrio, Nuria E Campillo
Quantitative structure-activity relationship modeling using machine learning techniques constitutes a complex computational problem, where the identification of the most informative molecular descriptors for predicting a specific target property plays a critical role. Two main general approaches can be used for this modeling procedure: feature selection and feature learning. In this paper, a performance comparative study of two state-of-art methods related to these two approaches is carried out. In particular, regression and classification models for three different issues are inferred using both methods under different experimental scenarios: two drug-like properties, such as blood-brain-barrier and human intestinal absorption, and enantiomeric excess, as a measurement of purity used for chiral substances...
May 25, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28546458/proteoglycans-ion-channels-and-cell-matrix-adhesion
#16
REVIEW
Ioli Mitsou, Hinke A B Multhaupt, John R Couchman
Cell surface proteoglycans comprise a transmembrane or membrane-associated core protein to which one or more glycosaminoglycan chains are covalently attached. They are ubiquitous receptors on nearly all animal cell surfaces. In mammals, the cell surface proteoglycans include the six glypicans, CD44, NG2 (CSPG4), neuropilin-1 and four syndecans. A single syndecan is present in invertebrates such as nematodes and insects. Uniquely, syndecans are receptors for many classes of proteins that can bind to the heparan sulphate chains present on syndecan core proteins...
May 25, 2017: Biochemical Journal
https://www.readbyqxmd.com/read/28545975/quinazolinone-derivatives-as-inhibitors-of-homologous-recombinase-rad51
#17
Ambber Ward, Lilong Dong, Jonathan M Harris, Kum Kum Khanna, Fares Al-Ejeh, David P Fairlie, Adrian P Wiegmans, Ligong Liu
RAD51 is a vital component of the homologous recombination DNA repair pathway and is overexpressed in drug-resistant cancers, including aggressive triple negative breast cancer (TNBC). A proposed strategy for improving therapeutic outcomes for patients is through small molecule inhibition of RAD51, thereby sensitizing tumor cells to DNA damaging irradiation and/or chemotherapy. Here we report structure-activity relationships for a library of quinazolinone derivatives. A novel RAD51 inhibitor (17) displays up to 15-fold enhanced inhibition of cell growth in a panel of TNBC cell lines compared to compound B02, and approximately 2-fold increased inhibition of irradiation-induced RAD51 foci formation...
May 15, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28545768/elastin-microfibril-interface-located-protein-1-transforming-growth-factor-beta-and-implications-on-cardiovascular-complications
#18
REVIEW
Amy Randell, Noriko Daneshtalab
Elastin microfibril interface-located protein 1 (EMILIN1), a glycoprotein, is associated with elastin in the extracellular matrix (ECM) of arteries, lymph vasculature, and other tissues. EMILIN1 particularly has a niche role in elastin fiber biogenesis (elastogenesis) by aiding with the fusion of elastin fibers, rendering them more ordered. In addition to elastogenesis, EMILIN1 has been shown to have roles in maintenance of vascular cell morphology, smooth muscle cell adhesion to elastic fibers, and transforming growth factor (TGFβ) regulation, by inhibiting TGFβ activation via blocking the proteolytic production of the latency-associated peptide/active TGFβ complex...
May 3, 2017: Journal of the American Society of Hypertension: JASH
https://www.readbyqxmd.com/read/28545486/depression-in-patients-with-sapho-syndrome-and-its-relationship-with-brain-activity-and-connectivity
#19
Jie Lu, Yanping Duan, Zhentao Zuo, Wenrui Xu, Xuewei Zhang, Chen Li, Rong Xue, Hanzhang Lu, Weihong Zhang
BACKGROUND: Synovitis-acne-pustulosis-hyperostosis-osteitis (SAPHO) syndrome is a rare disease and there is no related literature concerning psychiatric symptoms in SAPHO patients. Thus, we believe that this will be the first paper to explore the episode and the neurobiological basis of depression symptoms in SAPHO patients using resting state functional magnetic resonance imaging (rs-fMRI). Twenty-eight SAPHO patients and fifteen age- and gender- matched normal controls (NC) were consecutively submitted to psychiatric evaluation and rs-fMRI scanning...
May 25, 2017: Orphanet Journal of Rare Diseases
https://www.readbyqxmd.com/read/28545461/interventions-to-reduce-inequalities-in-health-and-early-child-development-in-europe-from-a-qualitative-perspective
#20
Joana Morrison, Hynek Pikhart, Peter Goldblatt
BACKGROUND: Early childhood is a critical stage of development. Inequalities in experiences affect children's wellbeing and determine their development. Early years interventions focusing on children and their parents may help address inequalities during this critical period. Understanding the experiences and perceptions of parents receiving early years programmes and staff providing these may help service development and delivery. The objective of this study was to describe staff and parents' accounts of how early childhood programmes in different European country contexts improved child development...
May 25, 2017: International Journal for Equity in Health
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