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https://www.readbyqxmd.com/read/28653416/design-of-anti-thyroid-drugs-binding-studies-and-structure-determination-of-the-complex-of-lactoperoxidase-with-2-mercaptoimidazole-at-2-30-%C3%A3-resolution
#1
Harsh V Sirohi, Prashant K Singh, Naseer Iqbal, Pradeep Sharma, Amit K Singh, Punit Kaur, Sujata Sharma, Tej P Singh
Lactoperoxidase (LPO) belongs to mammalian heme peroxidase superfamily which also includes myeloperoxidase (MPO), eosinophil peroxidase (EPO) and thyroid peroxidase (TPO). LPO catalyzes the oxidation of a number of substrates including thiocyanate while TPO catatalyzes the biosynthesis of thyroid hormones. LPO is also been shown to catalyze the biosynthesis of thyroid hormones indicating similar functional and structural properties. The binding studies showed that 2-mercaptoimidazole (MZY) bound to LPO with a dissociation constant of 0...
June 27, 2017: Proteins
https://www.readbyqxmd.com/read/28650618/solution-and-solid-state-correlations-of-antimalarial-drug-actions-nmr-and-crystallographic-studies-of-drug-interactions-with-a-heme-model
#2
Erin L Dodd, Dagobert Tazoo, D Scott Bohle
Solution NMR has been used in tandem with a diamagnetic non-iron heme model compound as a simple and effective tool to rapidly probe the structures of the bound complexes formed between the metalloporphyrin and antimalarial drugs from the 4-aminoquinoline, 4-methylenehydroxylquinoline, and 8-aminoquinoline subfamilies. The ability of gallium(III) protoporphyrin IX to mimic heme chemistry is exploited. The 4-aminoquinolines quinacrine and amodiaquine and two novel 3-halo chloroquine analogues are found to bind to the metalloporphyrin through hydrogen-bonding and stacking interactions, while halofantrine and the 4-methylenehydroxylquinolines, quinine and mefloquine bind through the alcohol group of the drug...
June 26, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28650043/heme-containing-enzymes-and-inhibitors-for-tryptophan-metabolism
#3
REVIEW
Daojing Yan, Ying-Wu Lin, Xiangshi Tan
Iron-containing enzymes such as heme enzymes play crucial roles in biological systems. Three distinct heme-containing dioxygenase enzymes, tryptophan 2,3-dioxygenase (TDO), indoleamine 2,3-dioxygenase 1 (IDO1) and indoleamine 2,3-dioxygenase 2 (IDO2) catalyze the initial and rate-limiting step of l-tryptophan catabolism through the kynurenine pathway in mammals. Overexpression of these enzymes causes depletion of tryptophan and the accumulation of metabolic products, which contributes to tumor immune tolerance and immune dysregulation in a variety of disease pathologies...
June 26, 2017: Metallomics: Integrated Biometal Science
https://www.readbyqxmd.com/read/28642844/role-of-bacterioferritin-ferritin-in-m-tuberculosis-pathogenesis-and-drug-resistance-a-future-perspective-by-interactomic-approach
#4
Divakar Sharma, Deepa Bisht
Tuberculosis is caused by Mycobacterium tuberculosis, one of the most successful and deadliest human pathogen. Aminoglycosides resistance leads to emergence of extremely drug resistant strains of M. tuberculosis. Iron is crucial for the biological functions of the cells. Iron assimilation, storage and their utilization is not only involved in pathogenesis but also in emergence of drug resistance strains. We previously reported that iron storing proteins (bacterioferritin and ferritin) were found to be overexpressed in aminoglycosides resistant isolates...
2017: Frontiers in Cellular and Infection Microbiology
https://www.readbyqxmd.com/read/28642436/metalloprotein-entatic-control-of-ligand-metal-bonds-quantified-by-ultrafast-x-ray-spectroscopy
#5
Michael W Mara, Ryan G Hadt, Marco Eli Reinhard, Thomas Kroll, Hyeongtaek Lim, Robert W Hartsock, Roberto Alonso-Mori, Matthieu Chollet, James M Glownia, Silke Nelson, Dimosthenis Sokaras, Kristjan Kunnus, Keith O Hodgson, Britt Hedman, Uwe Bergmann, Kelly J Gaffney, Edward I Solomon
The multifunctional protein cytochrome c (cyt c) plays key roles in electron transport and apoptosis, switching function by modulating bonding between a heme iron and the sulfur in a methionine residue. This Fe-S(Met) bond is too weak to persist in the absence of protein constraints. We ruptured the bond in ferrous cyt c using an optical laser pulse and monitored the bond reformation within the protein active site using ultrafast x-ray pulses from an x-ray free-electron laser, determining that the Fe-S(Met) bond enthalpy is ~4 kcal/mol stronger than in the absence of protein constraints...
June 23, 2017: Science
https://www.readbyqxmd.com/read/28642370/in-vitro-cytochrome-p450-46a1-cyp46a1-activation-by-neuroactive-compounds
#6
Natalia Mast, Kyle W Anderson, Kevin M Johnson, Thanh T N Phan, F Peter Guengerich, Irina A Pikuleva
Cytochrome P450 46A1 (CYP46A1, cholesterol 24-hydroxylase) is the enzyme responsible for the majority of cholesterol elimination from the brain. Previously, we found that the anti-HIV drug efavirenz (EFV) can pharmacologically activate CYP46A1 in mice. Herein, we investigated whether CYP46A1 could also be activated by endogenous compounds, including major neurotransmitters. In vitro experiments with purified recombinant CYP46A1 indicated that CYP46A1 is activated by L-glutamate (L-Glu), L-aspartate, γ-aminobutyric acid, and acetylcholine, with L-Glu eliciting the highest increase (3-fold) in CYP46A1-mediated cholesterol 24-hydroxylation...
June 22, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28630614/a-plant-based-diet-for-the-prevention-and-treatment-of-type-2-diabetes
#7
REVIEW
Michelle McMacken, Sapana Shah
The prevalence of type 2 diabetes is rising worldwide, especially in older adults. Diet and lifestyle, particularly plant-based diets, are effective tools for type 2 diabetes prevention and management. Plant-based diets are eating patterns that emphasize legumes, whole grains, vegetables, fruits, nuts, and seeds and discourage most or all animal products. Cohort studies strongly support the role of plant-based diets, and food and nutrient components of plant-based diets, in reducing the risk of type 2 diabetes...
May 2017: Journal of Geriatric Cardiology: JGC
https://www.readbyqxmd.com/read/28630009/identification-of-two-frataxin-isoforms-in-zea-mays-structural-and-functional-studies
#8
Celeste Buchensky, Manuel Sánchez, Martin Carrillo, Oscar Palacios, Mercè Capdevila, Jose M Domínguez-Vera, Maria V Busi, Sílvia Atrian, Maria A Pagani, Diego F Gomez-Casati
Frataxin is a ubiquitous protein that plays a role in Fe-S cluster biosynthesis and iron and heme metabolism, although its molecular functions are not entirely clear. In non-photosynthetic eukaryotes, frataxin is encoded by a single gene, and the protein localizes to mitochondria. Here we report the presence of two functional frataxin isoforms in Zea mays, ZmFH-1 and ZmFH-2. We confirmed our previous findings regarding plant frataxins: both proteins have dual localization in mitochondria and chloroplasts. Physiological, biochemical and biophysical studies show some differences in the expression pattern, protection against oxidants and in the aggregation state of both isoforms, suggesting that the two frataxin homologs would play similar but not identical roles in plant cell metabolism...
June 16, 2017: Biochimie
https://www.readbyqxmd.com/read/28627567/dissecting-binding-of-a-%C3%AE-barrel-membrane-protein-by-phage-display
#9
Luz M Meneghini, Sarvind Tripathi, Marcus A Woodworth, Sudipta Majumdar, Thomas L Poulos, Gregory A Weiss
Membrane proteins (MPs) constitute a third of all proteomes, and contribute to a myriad of cellular functions including intercellular communication, nutrient transport and energy generation. For example, TonB-dependent transporters (TBDTs) in the outer membrane of Gram-negative bacteria play an essential role transporting iron and other nutrients into the bacterial cell. The inherently hydrophobic surfaces of MPs complicates protein expression, purification, and characterization. Thus, dissecting the functional contributions of individual amino acids or structural features through mutagenesis can be a challenging ordeal...
June 19, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28626481/quantum-mechanical-molecular-mechanical-and-docking-study-of-the-novel-analogues-based-on-hybridization-of-common-pharmacophores-as-potential-anti-breast-cancer-agents
#10
Parvin Asadi, Ghadamali Khodarahmi, Hossein Farrokhpour, Farshid Hassanzadeh, Lotfollah Saghaei
In an attempt to identify some new potential leads as anti-breast cancer agents, novel hybrid compounds were designed by molecular hybridization approach. These derivatives were structurally derived from hybrid benzofuran-imidazole and quinazolinone derivatives, which had shown good cytotoxicity against the breast cancer cell line (MCF-7). Since aromatase enzyme (CYP19) is highly expressed in the MCF-7 cell line, the binding of these novel hybrid compounds to aromatase was investigated using the docking method...
June 2017: Research in Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28625994/a-small-protein-hemp-is-a-transcriptional-activator-for-hemin-uptake-operon-in-burkholderia-multivorans-atcc-17616
#11
Takuya Sato, Shouta Nonoyama, Akane Kimura, Yuji Nagata, Yoshiyuki Ohtsubo, Masataka Tsuda
Iron and heme play very important roles in various metabolic functions in bacteria, and their intracellular homeostasis is maintained because high concentrations of free forms of these molecules greatly facilitate the Fenton reaction-mediated production of large amounts of reactive oxygen species that severely damage various biomolecules. Ferric uptake regulator (Fur) from Burkholderiamultivorans ATCC 17616 is an iron-responsive global transcriptional regulator, and its fur deletant exhibits pleiotropic phenotypes...
June 16, 2017: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/28615454/cytosolic-iron-chaperones-proteins-delivering-iron-cofactors-in-the-cytosol-of-mammalian-cells
#12
Caroline C Philpott, Moon-Suhn Ryu, Avery G Frey, Sarju Patel
Eukaryotic cells contain hundreds of metalloproteins that are supported by intracellular systems coordinating the uptake and distribution of metal cofactors. Iron cofactors include heme, iron-sulfur clusters, and simple iron ions. Poly(rC)-binding proteins are multifunctional adaptors that serve as iron ion chaperones in the cytosolic/nuclear compartment, binding iron at import and delivering it to enzymes, for storage (ferritin), and export (ferroportin). Ferritin iron is mobilized by autophagy through the cargo receptor, nuclear co-activator 4...
June 14, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28615441/iron-transport-proteins-gateways-of-cellular-and-systemic-iron-homeostasis
#13
Mitchell D Knutson
Cellular iron homeostasis is maintained by iron and heme transport proteins that work in concert with ferrireductases, ferroxidases, and chaperones to direct the movement of iron into, within, and out of cells. Systemic iron homeostasis is regulated by the liver-derived peptide hormone, hepcidin. The interface between cellular and systemic iron homeostasis is readily observed in the highly dynamic iron handling of four main cell types: duodenal enterocytes, erythrocyte precursors, macrophages, and hepatocytes...
June 14, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28608694/iron-strapped-porphyrins-with-carboxylic-acid-groups-hanging-over-the-coordination-site-synthesis-x-ray-characterization-and-dioxygen-binding
#14
Bernard Boitrel, Ismail Hijazi, Thierry Roisnel, Koji Oohora, Takashi Hayashi
A series of myoglobin active site analogues were synthesized and characterized to investigate the dioxygen binding effects of a flexible distal strap over the coordination site. These four synthetic models differ mostly by the shape and polarity of their cavities and also possibly by motion of the distal strap attached to two of the meso carbon atoms. Each of the four models has an intramolecular nitrogen base that axially binds the iron(II) cation inside the porphyrin, but they differ either by the nature of the distal strap or by its mobility...
June 13, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28604414/dietary-iron-and-heme-iron-consumption-genetic-susceptibility-and-risk-of-crohn-s-disease-and-ulcerative-colitis
#15
Hamed Khalili, Punyanganie S de Silva, Ashwin N Ananthakrishnan, Paul Lochhead, Amit Joshi, John J Garber, James R Richter, Jenny Sauk, Andrew T Chan
BACKGROUND: Dietary iron and heme, likely through their effect on gut commensal bacteria and colonic barrier function, have been shown to modulate colonic inflammation in animal models of colitis. Nonetheless, the link between dietary total and heme iron and risk of Crohn's disease (CD) and ulcerative colitis (UC) has not been previously explored. METHODS: We conducted a prospective cohort study of 165,331 U.S. women enrolled in the Nurses' Health Study and Nurses' Health Study II...
July 2017: Inflammatory Bowel Diseases
https://www.readbyqxmd.com/read/28601936/acute-kidney-injury-emerging-pharmacotherapies-in-current-clinical-trials
#16
Stefanie Woolridge Benoit, Prasad Devarajan
Acute kidney injury (AKI) is a significant source of morbidity and mortality in pediatric patients, affecting more than one quarter of critically ill children. Despite significant need, there are no targeted therapies to reliably prevent or treat AKI. Recent advances in our understanding of renal injury and repair signaling pathways have enabled the development of several targeted pharmaceuticals. Here we review emerging pharmacotherapies for AKI that are currently in clinical trials. Categorized by their general mechanism of action, the therapies discussed include anti-inflammatory agents (recAP, AB103, ABT-719), antioxidants (iron chelators, heme arginate), vasodilators (levosimendan), apoptosis inhibitors (QPI-1002), and repair agents (THR-184, BB-3, mesenchymal stem cells)...
June 10, 2017: Pediatric Nephrology: Journal of the International Pediatric Nephrology Association
https://www.readbyqxmd.com/read/28588373/vegetarian-diets-in-the-prevention-and-management-of-diabetes-and-its-complications
#17
Roman Pawlak
IN BRIEF Epidemiological studies have found a lower prevalence of type 2 diabetes among vegetarians compared to nonvegetarians. This reduced risk is likely a function of improved weight status, higher intake of dietary fiber, and the absence of animal protein and heme iron in the diet. Interventional studies have shown that vegetarian diets, especially a vegan diet, are effective tools in glycemic control and that these diets control plasma glucose to a greater level than do control diets, including diets traditionally recommended for patients with diabetes (e...
May 2017: Diabetes Spectrum: a Publication of the American Diabetes Association
https://www.readbyqxmd.com/read/28584062/cytochrome-b5-reductase-3-modulates-soluble-guanylate-cyclase-redox-state-and-cgmp-signaling
#18
Mizanur M Rahaman, Anh T Nguyen, Megan P Miller, Scott A Hahn, Courtney Sparacino-Watkins, Soma Jobbagy, Nolan T Carew, Nadiezhda Cantu-Medellin, Katherine C Wood, Catherine Baty, Francisco J Schopfer, Eric E Kelley, Mark T Gladwin, Emil Martin, Adam C Straub
Rationale: Soluble guanylate cyclase (sGC) heme iron, in its oxidized state (Fe(3+)), is desensitized to nitric oxide (NO) and limits cyclic guanosine 3', 5'-monophosphate (cGMP) production needed for downstream activation of PKG-dependent signaling and blood vessel dilation. Objective: While reactive oxygen species are known to oxidize the sGC heme iron, the basic mechanism(s) governing sGC heme iron recycling to its NO-sensitive, reduced state, remain poorly understood. Methods and Results: Oxidant challenge studies show vascular smooth muscle cells have an intrinsic ability to reduce oxidized sGC heme iron and form protein-protein complexes between cytochrome b5 reductase 3 (Cyb5R3), also known as methemoglobin reductase, and oxidized sGC...
June 5, 2017: Circulation Research
https://www.readbyqxmd.com/read/28583816/tert-butylhydroquinone-protects-pc12%C3%A2-cells-against-ferrous-sulfate-induced-oxidative-and-inflammatory-injury-via-the-nrf2-are-pathway
#19
Wenzhe Xu, Feng Li, Zhenkuan Xu, Bin Sun, Jingwei Cao, Yuguang Liu
Increasing evidence had proved the critical role of iron in the pathogenesis of numerous neurodegenerative diseases because of its capacity to promote the formation of reactive oxygen species (ROS). Tert-butylhydroquinone (tBHQ) was a metabolite of butylated hydroxyanisole, a widely used food antioxidant. This study was aimed to investigate the protective effects of tBHQ on a cellular model of neurodegenerative disease, which was established in PC12 cells by exposure to ferrous sulfate (FS), and elucidate the potential protective mechanisms...
June 2, 2017: Chemico-biological Interactions
https://www.readbyqxmd.com/read/28566503/heavy-metal-suicide
#20
Andreas Linkermann, Brent R Stockwell, Tom Vanden Berghe
In acute kidney injury (AKI), the majority of dying tubular cells succumbs to an iron-dependent form of regulated necrosis, referred to as ferroptosis. Ferroptosis is essentially mediated by iron-catalyzed lipid peroxidation upon GPX4 dysfunction. Heme oxygenase 1 (HO-1) is a master regulator of intracellular free iron due to the conversion of heme to iron, carbon monoxide, and biliverdin(12), and therefore represents a potential regulator of ferroptotic cell death. In this issue of AJP - Renal Physiology, Adedoyin et al...
May 31, 2017: American Journal of Physiology. Renal Physiology
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