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https://www.readbyqxmd.com/read/28283058/5-end-nicotinamide-adenine-dinucleotide-cap-in-human-cells-promotes-rna-decay-through-dxo-mediated-denadding
#1
Xinfu Jiao, Selom K Doamekpor, Jeremy G Bird, Bryce E Nickels, Liang Tong, Ronald P Hart, Megerditch Kiledjian
Eukaryotic mRNAs generally possess a 5' end N7 methyl guanosine (m(7)G) cap that promotes their translation and stability. However, mammalian mRNAs can also carry a 5' end nicotinamide adenine dinucleotide (NAD(+)) cap that, in contrast to the m(7)G cap, does not support translation but instead promotes mRNA decay. The mammalian and fungal noncanonical DXO/Rai1 decapping enzymes efficiently remove NAD(+) caps, and cocrystal structures of DXO/Rai1 with 3'-NADP(+) illuminate the molecular mechanism for how the "deNADding" reaction produces NAD(+) and 5' phosphate RNA...
March 9, 2017: Cell
https://www.readbyqxmd.com/read/28274662/pharmaceutical-properties-of-two-ethenzamide-gentisic-acid-cocrystal-polymorphs-drug-release-profiles-spectroscopic-studies-and-theoretical-calculations
#2
Agnieszka Sokal, Edyta Pindelska, Lukasz Szeleszczuk, Waclaw Kolodziejski
The aim of this study was to evaluate the stability and solubility of the polymorphic forms of the ethenzamide (ET) - gentisic acid (GA) cocrystals during standard technological processes leading to tablet formation, such as compression and excipient addition. In this work two polymorphic forms of pharmaceutical cocrystals (ETGA) were characterized by (13)C and (15)N solid-state nuclear magnetic resonance and Fourier transformed infrared spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of chemical shielding constants...
March 6, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28259099/in-line-monitoring-of-cocrystallization-process-and-quantification-of-carbamazepine-nicotinamide-cocrystal-using-raman-spectroscopy-and-chemometric-tools
#3
Frederico L F Soares, Renato L Carneiro
A cocrystallization process may involve several molecular species, which are generally solid under ambient conditions. Thus, accurate monitoring of different components that might appear during the reaction is necessary, as well as quantification of the final product. This work reports for the first time the synthesis of carbamazepine-nicotinamide cocrystal in aqueous media with a full conversion. The reactions were monitored by Raman spectroscopy coupled with Multivariate Curve Resolution - Alternating Least Squares, and the quantification of the final product among its coformers was performed using Raman spectroscopy and Partial Least Squares regression...
February 24, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28257022/supramolecular-hydrogen-bonding-patterns-in-1-1-cocrystals-of-5-fluorouracil-with-4-methylbenzoic-acid-and-3-nitrobenzoic-acid
#4
Marimuthu Mohana, Packianathan Thomas Muthiah, Colin D McMillen
The design of a pharmaceutical cocrystal is based on the identification of specific hydrogen-bond donor and acceptor groups in active pharmaceutical ingredients (APIs) in order to choose a `complementary interacting' molecule that can act as an efficient coformer. 5-Fluorouracil (5FU) is a pyrimidine derivative with two N-H donors and C=O acceptors and shows a diversity of hydrogen-bonding motifs. Two 1:1 cocrystals of 5-fluorouracil (5FU), namely 5-fluorouracil-4-methylbenzoic acid (5FU-MBA), C4H3FN2O2·C8H8O2, (I), and 5-fluorouracil-3-nitrobenzoic acid (5FU-NBA), C4H3FN2O2·C7H5NO4, (II), have been prepared and characterized by single-crystal X-ray diffraction...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28257018/a-13-c-solid-state-nmr-investigation-of-four-cocrystals-of-caffeine-and-theophylline
#5
Nicolas J Vigilante, Manish A Mehta
We report an analysis of the (13)C solid-state NMR chemical shift data in a series of four cocrystals involving two active pharmaceutical ingredient (API) mimics (caffeine and theophylline) and two diacid coformers (malonic acid and glutaric acid). Within this controlled set, we make comparisons of the isotropic chemical shifts and the principal values of the chemical shift tensor. The dispersion at 14.1 T (600 MHz (1)H) shows crystallographic splittings in some of the resonances in the magic angle spinning spectra...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28257010/structure-and-physicochemical-characterization-of-a-naproxen-picolinamide-cocrystal
#6
Hannah E Kerr, Lorna K Softley, Kuthuru Suresh, Paul Hodgkinson, Ivana Radosavljevic Evans
Naproxen (NPX) is a nonsteroidal anti-inflammatory drug with pain- and fever-relieving properties, currently marketed in the sodium salt form to overcome solubility problems; however, alternative solutions for improving its solubility across all pH values are desirable. NPX is suitable for cocrystal formation, with hydrogen-bonding possibilities via the COOH group. The crystal structure is presented of a 1:1 cocrystal of NPX with picolinamide as a coformer [systematic name: (S)-2-(6-methoxynaphthalen-2-yl)propanoic acid-pyridine-2-carboxamide (1/1), C14H14O3·C6H6N2O]...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28257009/-13-c-and-19-f-solid-state-nmr-and-x-ray-crystallographic-study-of-halogen-bonded-frameworks-featuring-nitrogen-containing-heterocycles
#7
Patrick M J Szell, Shaina A Gabriel, Russell D D Gill, Shirley Y H Wan, Bulat Gabidullin, David L Bryce
Halogen bonding is a noncovalent interaction between the electrophilic region of a halogen (σ-hole) and an electron donor. We report a crystallographic and structural analysis of halogen-bonded compounds by applying a combined X-ray diffraction (XRD) and solid-state nuclear magnetic resonance (SSNMR) approach. Single-crystal XRD was first used to characterize the halogen-bonded cocrystals formed between two fluorinated halogen-bond donors (1,4-diiodotetrafluorobenzene and 1,3,5-trifluoro-2,4,6-triiodobenzene) and several nitrogen-containing heterocycles (acridine, 1,10-phenanthroline, 2,3,5,6-tetramethylpyrazine, and hexamethylenetetramine)...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28257008/single-crystal-x-ray-diffraction-and-nmr-crystallography-of-a-1-1-cocrystal-of-dithianon-and-pyrimethanil
#8
Ann Christin Pöppler, Emily K Corlett, Harriet Pearce, Mark P Seymour, Matthew Reid, Mark G Montgomery, Steven P Brown
A single-crystal X-ray diffraction structure of a 1:1 cocrystal of two fungicides, namely dithianon (DI) and pyrimethanil (PM), is reported [systematic name: 5,10-dioxo-5H,10H-naphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile-4,6-dimethyl-N-phenylpyrimidin-2-amine (1/1), C14H4N2O2S2·C12H13N2]. Following an NMR crystallography approach, experimental solid-state magic angle spinning (MAS) NMR spectra are presented together with GIPAW (gauge-including projector augmented wave) calculations of NMR chemical shieldings...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28254392/structural-characterization-and-dissolution-profile-of-mycophenolic-acid-cocrystals
#9
Qing-Zhu Zeng, Jian Ouyang, Shuo Zhang, Lei Zhang
Three novel cocrystals of mycophenolic acid (MPA) with isonicotinamide (MPA-ISO), minoxidil (MPA-MIN) and 2,2'-dipyridylamine (MPA-DPA) as coformers have been prepared successfully by both slow evaporation and liquid-assisted grinding. The structures of these cocrystals show that all the three coformers form hydrogen bonds with the carboxylic acid group of MPA. The cocrystal MPA-ISO possesses remarkably improved solubility and dissolution rate, while two other cocrystals exhibit the opposite characteristics...
February 28, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28229947/high-throughput-screening-and-scale-up-of-cocrystals-using-resonant-acoustic-mixing
#10
Karthik Nagapudi, Evelyn Yanez Umanzor, Colin Masui
This paper explores the effectiveness of resonant acoustic mixing RAM for screening and scale up of cocrystals. 16 cocrystal systems were selected as test cases based on previous literature precedent. A 96 well plate set up in conjunction with zirconia beads was used for cocrystal screening using RAM. A success rate of 80% was obtained in the screen for plates containing solvent or solvent plus Zirconia beads. A proof of concept production of hydrated and anhydrous cocrystals of 1:1 Theophylline Citric acid system at a 400mg scale was demonstrated using solvent and bead assisted RAM...
February 14, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28223260/enhanced-pulmonary-absorption-of-poorly-soluble-itraconazole-by-micronized-cocrystal-dry-powder-formulations
#11
Masatoshi Karashima, Noriyasu Sano, Syunsuke Yamamoto, Yuta Arai, Katsuhiko Yamamoto, Nobuyuki Amano, Yukihiro Ikeda
Micronized cocrystal powders and amorphous spray-dried formulations were prepared and evaluated in vivo and in vitro as pulmonary absorption enhancement formulations of poorly soluble itraconazole (ITZ). ITZ cocrystals with succinic acid (SA) or l-tartaric acid (TA) with a particle size diameter of < 2 µm were successfully micronized using the jet-milling system. The cocrystal crystalline morphologies observed using scanning electron microscopy (SEM) suggested particle shapes that differed from those of the crystalline or spray-dried amorphous ITZ...
February 18, 2017: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/28214603/the-impact-of-reduced-gastric-acid-secretion-on-dissolution-of-salts-of-weak-bases-in-the-fasted-upper-gastrointestinal-lumen-data-in-biorelevant-media-and-in-human-aspirates
#12
Chara Litou, Maria Vertzoni, Wei Xu, Filippos Kesisoglou, Christos Reppas
PURPOSE: To propose media for simulating the intragastric environment under reduced gastric acid secretion in the fasted state at three levels of simulation of the gastric environment and evaluate their usefulness in evaluating the intragastric dissolution of salts of weak bases. To evaluate the importance of bicarbonate buffer in biorelevant in vitro dissolution testing when using Level II biorelevant media simulating the environment in the fasted upper small intestine, regardless of gastric acid secretions...
February 15, 2017: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/28213313/structural-investigation-of-the-cocrystal-formed-between-5-fluorocytosine-and-fumaric-acid-based-on-vibrational-spectroscopic-technique
#13
Yong Du, Qiang Cai, Jiadan Xue, Qi Zhang, Dan Qin
The vibrational spectra of 5-fluorocytosine, fumaric acid and their cocrystal were measured using terahertz time-domain spectroscopy (THz-TDS) and Raman spectroscopy at room temperature. Experimental THz results show that the cocrystal has distinct fingerprint spectra in terahertz region. The absorption peaks observed in the terahertz spectra of the cocrystal were at 0.61 and 0.91THz. These are quite different from corresponding raw starting materials. Raman spectra also show similar results about differences between the cocrystal and corresponding raw starting materials...
February 7, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28197309/structure-guided-design-of-novel-potent-and-selective-macrocyclic-plasma-kallikrein-inhibitors
#14
Zhe Li, James Partridge, Abel Silva-Garcia, Peter Rademacher, Andreas Betz, Qing Xu, Hing Sham, Yunjin Hu, Yuqing Shan, Bin Liu, Ying Zhang, Haijuan Shi, Qiong Xu, Xubo Ma, Li Zhang
A series of macrocyclic analogues were designed and synthesized based on the cocrystal structure of small molecule plasma kallikrein (pKal) inhibitor, 2, with the pKal protease domain. This led to the discovery of a potent macrocyclic pKal inhibitor 29, with an IC50 of 2 nM for one olefinic isomer and 42.3 nM for the other olefinic isomer.
February 9, 2017: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28186461/aceclofenac-cocrystal-nanoliposomes-for-rheumatoid-arthritis-with-better-dermatokinetic-attributes-a-preclinical-study
#15
Gajanand Sharma, Mandeep Kaur Saini, Kanika Thakur, Namarta Kapil, Neeraj Kumar Garg, Kaisar Raza, Vijay G Goni, Anil Pareek, Om Prakash Katare
AIM: The aim of present research was to complex aceclofenac with lysine (LYS) and the developed aceclofenac-LYS cocrystal was encapsulated in lipid bilayers of liposomes by employing dual carrier approach for the treatment of pain-related disorders in rheumatoid arthritis (RA). MATERIALS & METHODS: The developed carriers were characterized for particle size, drug release, ex vivo and in vivo studies, dermatokinetic modeling, complete freund's adjuvant (CFA)-induced RA rat model, radiant heat tail-flick method, formalin-induced paw-licking model, paw edema model and xylene-induced ear edema model in mice...
February 10, 2017: Nanomedicine
https://www.readbyqxmd.com/read/28186410/cocrystal-of-ti4-and-ti6-clusters-with-enhanced-photochemical-properties
#16
Jian-Fang Wang, Wei-Hui Fang, Dong-Sheng Li, Lei Zhang, Jian Zhang
Herein we report the construction of a supramolecular cocrystal {Ti4 + Ti6} through the combination of isolated {Ti4} and {Ti6} clusters. Moreover, the combined {Ti4 + Ti6} complex presents better solar-driven photocatalytic dye degradation activity than the individual {Ti4} and {Ti6} compounds.
February 10, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28135087/discovery-of-potent-and-selective-inhibitors-for-g9a-like-protein-glp-lysine-methyltransferase
#17
Yan Xiong, Fengling Li, Nicolas Babault, Aiping Dong, Hong Zeng, Hong Wu, Xin Chen, Cheryl H Arrowsmith, Peter J Brown, Jing Liu, Masoud Vedadi, Jian Jin
G9a-like protein (GLP) and G9a are highly homologous protein lysine methyltransferases (PKMTs) sharing approximately 80% sequence identity in their catalytic domains. GLP and G9a form a heterodimer complex and catalyze mono- and dimethylation of histone H3 lysine 9 and nonhistone substrates. Although they are closely related, GLP and G9a possess distinct physiological and pathophysiological functions. Thus, GLP or G9a selective small-molecule inhibitors are useful tools to dissect their distinct biological functions...
March 9, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28134976/multicomponent-solid-forms-of-felodipine-preparation-characterisation-physicochemical-and-in-vivo-studies
#18
Renu Chadha, Mohit Sharma, Jamshed Haneef
OBJECTIVES: This study aimed to improve biopharmaceutical parameters of the poorly soluble antihypertensive drug, felodipine, by preparing multicomponent solid forms using three coformers, viz. imidazole, nicotinamide and malonic acid. METHODS: The multicomponent solid forms were prepared by mechanochemical synthesis and characterised by various analytical techniques. These solid forms were further assessed for their physicochemical parameters. Pharmacokinetic and in-vivo antihypertensive activity was performed in rats...
March 2017: Journal of Pharmacy and Pharmacology
https://www.readbyqxmd.com/read/28101724/drug-drug-multicomponent-solid-forms-cocrystal-coamorphous-and-eutectic-of-three-poorly-soluble-antihypertensive-drugs-using-mechanochemical-approach
#19
Jamshed Haneef, Renu Chadha
The present study deals with the application of mechanochemical approach for the preparation of drug-drug multicomponent solid forms of three poorly soluble antihypertensive drugs (telmisartan, irbesartan and hydrochlorothiazide) using atenolol as a coformer. The resultant solid forms comprise of cocrystal (telmisartan-atenolol), coamorphous (irbesartan-atenolol) and eutectic (hydrochlorothiazide-atenolol). The study emphasizes that solid-state transformation of drug molecules into new forms is a result of the change in structural patterns, diminishing of dimers and creating new facile hydrogen bonding network based on structural resemblance...
January 18, 2017: AAPS PharmSciTech
https://www.readbyqxmd.com/read/28101455/pharmaceutical-cocrystals-regulatory-and-strategic-aspects-design-and-development
#20
REVIEW
Dipak Dilip Gadade, Sanjay Sudhakar Pekamwar
Cocrystal is a concept of the supramolecular chemistry which is gaining the extensive interest of researchers from pharmaceutical and chemical sciences and of drug regulatory agencies. The prominent reason of which is its ability to modify physicochemical properties of active pharmaceutical ingredients. During the development of the pharmaceutical product, formulators have to optimize the physicochemical properties of active pharmaceutical ingredients. Pharmaceutical cocrystals can be employed to improve vital physicochemical characteristics of a drug, including solubility, dissolution, bioavailability and stability of pharmaceutical compounds while maintaining its therapeutic activity...
December 2016: Advanced Pharmaceutical Bulletin
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