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Pharmaceutical chemistry

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https://www.readbyqxmd.com/read/29137663/patent-landscape-of-neglected-tropical-diseases-an-analysis-of-worldwide-patent-families
#1
Folahanmi Tomiwa Akinsolu, Vitor Nobre de Paiva, Samuel Santos Souza, Orsolya Varga
BACKGROUND: "Neglected Tropical Diseases" (NTDs) affect millions of people in Africa, Asia and South America. The two primary ways of strategic interventions are "preventive chemotherapy and transmission control" (PCT), and "innovative and intensified disease management" (IDM). In the last 5 years, phenomenal progress has been achieved. However, it is crucial to intensify research effort into NTDs, because of the emerging drug resistance. According to the World Health Organization (WHO), the term NTDs covers 17 diseases, namely buruli ulcer, Chagas disease, dengue, dracunculiasis, echinococcosis, trematodiasis, human African trypanosomiasis, leishmaniasis, leprosy, lymphatic filariasis, onchocerciasis, rabies, schistosomiasis, soil-transmitted helminthes, taeniasis, trachoma, and yaws...
November 14, 2017: Globalization and Health
https://www.readbyqxmd.com/read/29136812/silica-based-click-dibenzo-18-crown-6-ether-high-performance-liquid-chromatography-stationary-phase-and-its-application-in-separation-of-fullerenes
#2
Yanzhe Li, Zhe Sheng, Chuanlei Zhu, Wei Yin, Changhu Chu
Crown ether is a type of typical macrocyclic polyether compounds, which can produce strong interactions with cationic species, such as metal ions and protonated amines due to its cavity structure and the strong electronegative effect of heteroatoms on the crown ether ring. In this paper, a type of silica based crown ether stationary phase was prepared by covalently bonding dibenzo-18-crown 6-ether (DBCE) on silica gel via copper (I) catalyzed azide-alkyne 1,3-dipolar cycloaddition (CuAAC). The tetraazido DBCE was rapidly prepared by bromomethylation and subsequent azido substitution of DBCE...
February 1, 2018: Talanta
https://www.readbyqxmd.com/read/29112806/water-analysis-emerging-contaminants-and-current-issues
#3
Susan D Richardson, Thomas A Ternes
This biennial review covers developments in water analysis for emerging environmental contaminants over the period of October 2015-October 2017. Analytical Chemistry's policy is to limit reviews to a maximum of ~250 significant references and to mainly focus on new trends. Therefore, only a small fraction of the quality research publications are discussed. The previous Water Analysis review (with Susana Kimura) was published in 2016.1 This year, Thomas Ternes has joined back again to cover the section on Pharmaceuticals and Hormones...
November 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/29112403/selective-ortho-c-h-activation-of-pyridines-directed-by-the-lewis-acidic-boron-of-pbp-pincer-iridium-complexes
#4
Wei-Chun Shih, Oleg V Ozerov
Transition-metal mediated C-H functionalization has emerged as a powerful method in the chemistry relevant to the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Since organic molecules typically contain multiple types of C-H bonds, selective C-H functionalization is a major ongoing challenge. C-H activation of heteroatom-containing organics has often been approached via the use of the directing effect, whereby the coordination to the basic heteroatom directs the reactive metal center to a specific C-H bond...
November 7, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29110624/recent-advancements-in-organotin-iv-complexes-as-potential-anticancer-agents
#5
Jai Devi, Jyoti Yadav
Cancer is a multistep disease incorporating physical, chemical, environmental, metabolic and genetic factors, which play direct or indirect role in the induction and deterioration of cancer. Many of the platinum based drugs were synthesized but due to their systemic toxicity, broad spectrum of action, intrinsic and acquired drug resistivity, it has become necessary to search for the effective anticancer drugs with superior efficiency. Among non-platinum metal compounds with antitumor activity, organotin complexes have proven effective management of toxicity, specific targeted drug uptake by the cancerous cell line and significant potential in the pharmaceutical chemistry...
November 6, 2017: Anti-cancer Agents in Medicinal Chemistry
https://www.readbyqxmd.com/read/29105168/azidophosphonate-chemistry-as-route-for-a-novel-class-of-vesicle-forming-phosphonolipids
#6
Debasis Manna
Membrane forming synthetic lipids constitutes a new class of biomaterials with impressive applications in the field of biological and pharmaceutical sciences. Alteration(s) in the headgroup region of the lipids offer a wide chemical space to investigate their specific properties. In this regard, we have utilized β-azidophosphonate chemistry to gain access to a novel class of triazole-phosphonate (TP) amphiphiles with fascinating physicochemical properties of lipids. TP lipids form stable vesicles that exhibit negative surface potential across a broad pH range...
November 3, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29097226/understanding-the-differences-between-cocrystal-and-salt-aqueous-solubilities
#7
Katie L Cavanagh, Chinmay Maheshwari, Naír Rodríguez-Hornedo
This work challenges the popular notion that pharmaceutical salts are more soluble than cocrystals. There are cocrystals that are more soluble than salt forms of a drug and vice-versa. It all depends on the interplay between the chemistry of both the solid and solution phases. Aqueous solubility, pHmax, and supersaturation index (SA =SCC or Ssalt/SD) of cocrystals and salts of a basic drug, Lamotrigine (LTG), were determined, and mathematical models that predict the influence of cocrystal/salt Ksp and Ka were derived...
October 30, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/29073328/internal-targeting-and-external-control-phototriggered-targeting-in-nanomedicine
#8
REVIEW
Lily Arrue, Lars Ratjen
The photochemical control of structure and reactivity bears great potential for chemistry, biology, and life sciences. A key feature of photochemistry is the spatiotemporal control over secondary events. Well-established applications of photochemistry in medicine are photodynamic therapy (PDT) and photopharmacology (PP). However, although both are highly localizable through the application of light, they lack cell- and tissue-specificity. The combination of nanomaterial-based drug delivery and targeting has the potential to overcome limitations for many established therapy concepts...
October 26, 2017: ChemMedChem
https://www.readbyqxmd.com/read/29072707/the-assembly-and-use-of-continuous-flow-systems-for-chemical-synthesis
#9
Joshua Britton, Timothy F Jamison
The adoption of and opportunities in continuous flow synthesis ('flow chemistry') have increased significantly over the past several years. Continuous flow systems provide improved reaction safety and accelerated reaction kinetics, and have synthesised several active pharmaceutical ingredients in automated reconfigurable systems. Although continuous flow platforms are commercially available, systems constructed 'in-lab' provide researchers with a flexible, versatile, and cost-effective alternative. Herein, we describe the assembly and use of a modular continuous flow apparatus from readily available and affordable parts in as little as 30 min...
November 2017: Nature Protocols
https://www.readbyqxmd.com/read/29069944/photosensitive-drugs-a-review-on-their-photoprotection-by-liposomes-and-cyclodextrins
#10
Giuseppina Ioele, Michele De Luca, Antonio Garofalo, Gaetano Ragno
Nowadays, an exciting challenge in the drug chemistry and technology research is represented by the development of methods aimed to protect molecular integrity and therapeutic activity of drugs from effects of light. The photostability characterization is ruled by ICH (The International Council for Harmonization of Technical Requirements for Pharmaceuticals for Human Use), which releases details throughout basic protocols of stability tests to be performed on new medicinal products for human use. The definition of suitable photoprotective systems is fundamental for pharmaceutical manufacturing and for human healthy as well, since light exposure may affect either drugs or drug formulations giving rise even to allergenic or mutagenic by-products...
December 2017: Drug Delivery
https://www.readbyqxmd.com/read/29063646/direct-c-h-arylation-of-primary-amines-via-organic-photoredox-catalysis
#11
Kaila A Margrey, Alison Levens, David Nicewicz
The direct catalytic C-H amination of arenes is a powerful synthetic strategy with useful applications in pharmaceuticals, agrochemicals, and materials chemistry. Despite the advances in catalytic arene C-H functionalization, the use of aliphatic amine coupling partners is limited. Herein, we demonstrate the construction of aryl C-N bonds to primary amines via a direct C-H functionalization using an acridinium photoredox catalyst under an aerobic atmosphere. A wide variety of primary amines, including amino acids and more complex amines, are competent coupling partners...
October 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/29058005/application-of-spin-ratio-scaled-mp2-for-the-prediction-of-intermolecular-interactions-in-chemical-systems
#12
Samuel Y S Tan, Luke Wylie, Ivan Begic, Dennis Tran, Ekaterina I Izgorodina
Accurate prediction of intermolecular interactions plays a pivotal role in many areas of chemistry and biology including (but not limited to) the design of pharmaceuticals, solid electrolytes and food additives. Here we present the application of the recently developed spin-ratio scaled MP2 method (termed SRS-MP2) to six different datasets covering a wide range of interaction types from strong hydrogen bonding to van der Waals dispersion and π-π stacking. The method achieves a remarkably low mean absolute error of 1...
November 1, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29046853/synthesis-of-4h-benzo-e-1-3-oxazin-4-ones-by-a-carbonylation-cyclization-domino-reaction-of-ortho-halophenols-and-cyanamide
#13
Linda Åkerbladh, Shiao Y Chow, Luke R Odell, Mats Larhed
Invited for this month's cover are researchers from the Division of Organic Pharmaceutical Chemistry, Department of Medicinal Chemistry, Uppsala University (Sweden). The research interests in the group span areas such as enzyme inhibitors, new antibiotics, angiotensin II AT2R ligands, PET tracers, palladium catalysis, heterocycle synthesis, and the development of novel multicomponent reactions. In particular, sequential carbonylation and cyclization appeal to us as a convenient and straightforward synthetic route for the synthesis of heterocycles...
October 2017: ChemistryOpen
https://www.readbyqxmd.com/read/29044983/horseradish-peroxidase-catalyzed-hydrogelation-for-biomedical-biopharmaceutical-and-biofabrication-applications
#14
Shinji Sakai, Masaki Nakahata
Horseradish peroxidase (HRP)-catalyzed hydrogelation has attracted much attention due to the ease of handling, high biocompatibility, and processability. This review summarizes recent developments including cutting-edge research using HRP-mediated hydrogelation toward biomedical, biopharmaceutical, and biofabrication applications. From the viewpoint of polymer chemistry, the basic chemistry behind hydrogelation, the structure-property relationship, and hybridization of multiple materials using HRP-catalyzed hydrogelation are summarized...
October 18, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29043315/quantification-of-cation-anion-interactions-in-crystalline-monopotassium-and-monosodium-glutamate-salts
#15
Michael T Ruggiero, Juraj Sibik, Alessandro Erba, J Axel Zeitler, Timothy M Korter
Crystalline salt compounds composed of metal cations and organic anions are becoming increasingly popular in a number of fields, including the pharmaceutical and food industries, where such formulations can lead to increased product solubility. The origins of these effects are often in the interactions between the individual components in the crystals, and understanding these forces is paramount for the design and utilisation of such materials. Monosodium glutamate monohydrate and monopotassium glutamate monohydrate are two solids that form significantly different structures with correspondingly dissimilar dynamics, while their chemistry only differs in cation identity...
November 1, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29038381/has-molecular-imaging-delivered-to-drug-development
#16
REVIEW
Philip S Murphy, Neel Patel, Timothy J McCarthy
Pharmaceutical research and development requires a systematic interrogation of a candidate molecule through clinical studies. To ensure resources are spent on only the most promising molecules, early clinical studies must understand fundamental attributes of the drug candidate, including exposure at the target site, target binding and pharmacological response in disease. Molecular imaging has the potential to quantitatively characterize these properties in small, efficient clinical studies. Specific benefits of molecular imaging in this setting (compared to blood and tissue sampling) include non-invasiveness and the ability to survey the whole body temporally...
November 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/29034333/well-defined-nickel-and-palladium-precatalysts-for-cross-coupling
#17
Nilay Hazari, Patrick R Melvin, Megan Mohadjer Beromi
Transition metal-catalysed cross-coupling is one of the most powerful synthetic methods and has led to vast improvements in the synthesis of pharmaceuticals, agrochemicals and precursors for materials chemistry. A major advance in cross-coupling over the past 20 years is the utilization of well-defined, bench-stable Pd and Ni precatalysts that do not require the addition of free ancillary ligand, which can hinder catalysis by occupying open coordination sites on the metal. The development of precatalysts has resulted in new reactions and expanded substrate scopes, enabling transformations under milder conditions and with lower catalyst loadings...
2017: Nat Rev Chem
https://www.readbyqxmd.com/read/29031269/visualising-crystal-packing-interactions-in-solid-state-nmr-concepts-and-applications
#18
Miri Zilka, Simone Sturniolo, Steven P Brown, Jonathan R Yates
In this article, we introduce and apply a methodology, based on density functional theory and the gauge-including projector augmented wave approach, to explore the effects of packing interactions on solid-state nuclear magnetic resonance (NMR) parameters. A visual map derived from a so-termed "magnetic shielding contribution field" can be made of the contributions to the magnetic shielding of a specific site-partitioning the chemical shift to specific interactions. The relation to the established approaches of examining the molecule to crystal change in the chemical shift and the nuclear independent chemical shift is established...
October 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29029351/development-and-application-of-a-dual-rat-and-human-ahr-activation-assay
#19
Martin R Brown, Helen Garside, Emma Thompson, Saseela Atwal, Chloe Bean, Tony Goodall, Michael Sullivan, Mark J Graham
Significant prolonged AHR activation, classically exhibited following exposure to TCDD (dioxin), can cause a variety of undesirable toxicological effects. Novel pharmaceutical chemistries also have the potential to cause activation of AHR and consequent toxicities in pre-clinical species and man. Previous methods either employed relatively expensive and low throughput primary hepatocyte dosing with PCR endpoint, or low resolution overexpressing reporter gene assays. We have developed, validated and applied an in vitro microtitre plate imaging-based medium throughput screening assay for the assessment of endogenous species-specific AHR activation potential via detection of induction of the surrogate transcriptional target Cytochrome P450 CYP1A1...
September 18, 2017: Toxicological Sciences: An Official Journal of the Society of Toxicology
https://www.readbyqxmd.com/read/29029316/the-need-for-and-the-role-of-the-toxicological-chemist-in-the-design-of-safer-chemicals
#20
Stephen C DeVito
During the past several decades there has been an ever increasing emphasis for designers of new commercial (non-pharmaceutical) chemicals to include considerations of the potential impacts a planned chemical may have on human health and the environment as part of the design of the chemical, and to design chemicals such that they possess the desired use efficacy while minimizing threats to human health and the environment. Achievement of this goal would be facilitated by the availability of individuals specifically and formally trained to design such chemicals...
September 18, 2017: Toxicological Sciences: An Official Journal of the Society of Toxicology
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