13,111 results match your criteria Drugs and Chemicals


A Modular Approach to Dibenzo-fused ε-Lactams: Palladium Carbene Bridging C-H Activation and Its Synthetic Application.

Angew Chem Int Ed Engl 2020 Jul 3. Epub 2020 Jul 3.

University of the Chinese Academy of Sciences, Fujian Institute of Research on the Structure of Matter, Haixi Institute, Chinese Academy of Sciences, Haixi High-Tech Zone, Shangjie, Minhou, 350100, Fuzhou, CHINA.

Tricyclic ring systems possessing a dibenzo structure joined to a seven-membered heterocyclic ring frequently show important biological activities. However, a modular approach to these molecules based on efficient intermolecular reaction of readily available chemicals is lacking. Herein, an unprecedented palladium-catalyzed formal [4+3] annulation for modular construction of these tricyclic systems is described. Read More

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http://dx.doi.org/10.1002/anie.202007799DOI Listing

Protein-Based Nanoparticles as Drug Delivery Systems.

Pharmaceutics 2020 Jun 29;12(7). Epub 2020 Jun 29.

Department of Biotechnology and Bioengineering, Kangwon National University, Chuncheon 24341, Korea.

Nanoparticles have been extensively used as carriers for the delivery of chemicals and biomolecular drugs, such as anticancer drugs and therapeutic proteins. Natural biomolecules, such as proteins, are an attractive alternative to synthetic polymers commonly used in nanoparticle formulation because of their safety. In general, protein nanoparticles offer many advantages, such as biocompatibility and biodegradability. Read More

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http://dx.doi.org/10.3390/pharmaceutics12070604DOI Listing

Comparative COX I Molecular Docking of Phyto-chemicals (Flavonoids, Alkaloids, Lignans and Terpenoids) for Anti-platelet Aggregation Dynamics.

Curr Comput Aided Drug Des 2020 Jun 30. Epub 2020 Jun 30.

Drug Discovery and Development Division, Patanjali Research Institute, Patanjali Research Foundation Trust, Roorkee-Haridwar Road, Haridwar-249405, Uttarakhand. India.

Introduction: Cycloxygenase I (COX I) plays an important role in the pathogenesis of atherothrombosis. Therefore, there is need of anti-platelet aggregation drugs that decrease thrombus formation.

Methods: Molecular docking of the phytochemicals (flavonoids, alkaloids, terpenoids and lignans) showed that their inhibitory activity towards COX I mainly depends on hydrogen bonds between the hydroxyl groups of the polyphenol ligands and the binding sites, πcation/anion, π-sigma bond, π-alkyl, and π-π T shaped interactions that stabilize the ligand within the active site. Read More

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http://dx.doi.org/10.2174/1573409916666200630110711DOI Listing

Generation of inner ear hair cells by direct lineage conversion of primary somatic cells.

Elife 2020 Jun 30;9. Epub 2020 Jun 30.

Department of Stem Cell and Regenerative Medicine, University of Southern California, Los Angeles, United States.

The mechanoreceptive sensory hair cells in the inner ear are selectively vulnerable to numerous genetic and environmental insults. In mammals, hair cells lack regenerative capacity, and their death leads to permanent hearing loss and vestibular dysfunction. Their paucity and inaccessibility has limited the search for otoprotective and regenerative strategies. Read More

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http://dx.doi.org/10.7554/eLife.55249DOI Listing

3D profilometry and cell viability studies for drug response screening.

Mater Sci Eng C Mater Biol Appl 2020 Oct 30;115:111142. Epub 2020 May 30.

Institut de Nanociència i Nanotecnologia - IN(2)UB, Universitat de Barcelona, Avda. Diagonal, 645, 08028 Barcelona, Spain; CNR-ICMATE Istituto di Chimica della Materia Condensata e di Tecnologie per l'Energia, via De Marini, 6, 16149 Genova, Italy. Electronic address:

In vitro tests for assessing cell viability and drug response are widely employed for determining cytotoxicity of drugs, chemicals, or material substrates. These assays have some advantages, such as speed, reduced cost, and potential for automation. However, since these tests are often run with a huge amount of cells, the characteristic properties of a single cell can be masked leading to a lack of the diagnostic features of these assays. Read More

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http://dx.doi.org/10.1016/j.msec.2020.111142DOI Listing
October 2020

The impact of nutrition and lifestyle on male fertility.

Arch Ital Urol Androl 2020 Jun 24;92(2). Epub 2020 Jun 24.

U-merge Ltd. (Urology for Emerging Countries), London, UK; Department of Urology, Djilali Lyabes University Hospital, Sidi Bel Abbes.

Background And Aims: Male unexplained infertility has long been suspected to result from environmental, lifestyle and nutritional factors. However, the literature on the subject is still scarce, and clinical studies providing robust evidence are even scarcer. In addition, some similar studies come to different conclusions. Read More

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http://dx.doi.org/10.4081/aiua.2020.2.121DOI Listing

Municipal wastewater surveillance reveals high community disease burden of rarely reported and possibly subclinical Derby strain.

Appl Environ Microbiol 2020 Jun 26. Epub 2020 Jun 26.

Department of Civil and Environmental Engineering, University of Hawaii at Manoa, Honolulu, HI 96822

Clinical surveillance of enteric pathogens like is integral to track outbreaks and endemic disease trends. However, clinic-centered disease monitoring biases toward detection of severe cases and underestimates the incidence of self-limiting gastroenteritis and asymptomatic strains. Monitoring pathogen loads and diversity in municipal wastewater (MW) can provide insight into asymptomatic or subclinical infections which are not reflected in clinical cases. Read More

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http://dx.doi.org/10.1128/AEM.00814-20DOI Listing

Diazepam, metformin, omeprazole and simvastatin: a full discussion of individual and mixture acute toxicity.

Ecotoxicology 2020 Jun 25. Epub 2020 Jun 25.

Sanitation and Environmental Engineering Department, School of Engineering, Federal University of Minas Gerais, Avenue Antônio Carlos, 6627, Campus Pampulha, MG, Brazil.

High consumption of drugs, combined with their presence in the environment, raises concerns about its consequences. Even though researches are often engaged in analyzing substances separately, that is not the environmental reality. Therefore, the aim of this study was to investigate the acute toxicity of the pharmaceuticals simvastatin, metformin, omeprazole and diazepam, and all possible mixtures between them, to the organism Aliivibrio fischeri, verifying possible synergistic or antagonistic effects and assessing byproducts formation. Read More

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http://dx.doi.org/10.1007/s10646-020-02239-8DOI Listing

Listed for sale: Analyzing data on fentanyl, fentanyl analogs and other novel synthetic opioids on one cryptomarket.

Drug Alcohol Depend 2020 Jun 12;213:108115. Epub 2020 Jun 12.

Center for Interventions, Treatment, and Addictions Research, Department of Population and Public Health Sciences, Wright State University, Dayton, OH, United States.

Background: The United States is facing a "triple wave" epidemic fueled by novel synthetic opioids. Cryptomarkets, anonymous marketplaces located on the deep web, play an increasingly important role in the distribution of illicit substances. This article presents the data collected and processed by the eDarkTrends platform concerning the availability trends of novel synthetic opioids listed on one cryptomarket. Read More

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http://dx.doi.org/10.1016/j.drugalcdep.2020.108115DOI Listing

Economic evaluation of the direct cost resulting from childhood poisoning in Morocco: micro-costing analysis.

Arch Public Health 2020 19;78:59. Epub 2020 Jun 19.

Laboratory of Genetics and Biometry, Faculty of Science, Ibn Tofail University, Kenitra, Morocco.

Background: The analysis of the economic burden for childhood poisoning has great value in Morocco where there still exists a paucity of information on the subject. The objective of this study was to explore the economic costs of unintentional and intentional poisoning in children in the region of Rabat-Salé-Kénitra, Morocco.

Methods: A prospective study of children younger than 15 years with a poisoning diagnosis conducted between March and July 2016 in the Children's University Hospital of Rabat, Morocco. Read More

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http://dx.doi.org/10.1186/s13690-020-00440-zDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7310327PMC

Protective effect of a polyherbal bioactive fraction in propylthiouracil-induced thyroid toxicity in ratsby modulation of the hypothalamic-pituitary-thyroid and hypothalamic-pituitary-adrenal axes.

Toxicol Rep 2020 11;7:730-742. Epub 2020 Jun 11.

Department of Pharmacognosy, SVKM's NMIMS, School of Pharmacy & Technology Management Mukesh Patel Technology Park, Babulde, Mumbai-Agra Highway, Shirpur, India.

Hypothyroidism is the most frequent consequence of the interaction of a large variety of drugs, environmental pollutants and industrial chemicals with the thyroid gland. It is associated with diminished endocrine function which may lead to hyperlipidemia, diabetes, Alzheimer's disease, weight gain, and other metabolic disorders. The present study evaluates the pro-thyroid activity of a bioactive fraction from a polyherbal teabag in rats with hypothyroidism induced by propylthiouracil. Read More

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http://dx.doi.org/10.1016/j.toxrep.2020.06.002DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7301176PMC

Algae Metabolites in Cosmeceutical: An Overview of Current Applications and Challenges.

Mar Drugs 2020 Jun 19;18(6). Epub 2020 Jun 19.

Department of Biological Sciences, School of Science & Technology, Sunway University, Bandar Sunway 47500, Selangor Darul Ehsan, Malaysia.

Cosmetics are widely used by people around the world to protect the skin from external stimuli. Consumer preference towards natural cosmetic products has increased as the synthetic cosmetic products caused adverse side effects and resulted in low absorption rate due to the chemicals' larger molecular size. The cosmetic industry uses the term "cosmeceutical", referring to a cosmetic product that is claimed to have medicinal or drug-like benefits. Read More

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http://dx.doi.org/10.3390/md18060323DOI Listing

The SeS/N interactions as a possible mechanism of δ-aminolevulinic acid dehydratase enzyme inhibition by organoselenium compounds: A computational study.

Comput Toxicol 2020 Aug 9;15:100127. Epub 2020 Jun 9.

Departamento de Bioquímica e Biologia Molecular, Universidade Federal de Santa Maria (UFSM), Santa Maria 97105-900, RS, Brazil.

Organoselenium compounds present many pharmacological properties and are promising drugs. However, toxicological effects associated with inhibition of thiol-containing enzymes, such as the δ-aminolevulinic acid dehydratase (δ-AlaD), have been described. The molecular mechanism(s) by which they inhibit thiol-containing enzymes at the atomic level, is still not well known. Read More

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http://dx.doi.org/10.1016/j.comtox.2020.100127DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7280828PMC

Integrating the Comparative Toxicogenomic Database in a Human Pharmacogenomic Resource.

Stud Health Technol Inform 2020 Jun;270:267-271

Public Health and Medical Information Unit, University Hospital of Saint Étienne, Saint Étienne, France.

Information relevant to pharmacogenomics studies is available in several open databases, which makes it difficult to synthetize the available data. Within the PractikPharma project, several databases were integrated to PGxLOD, a resource dedicated to the generation and verification of pharmacogenomic influence on drug responses. The Comparative Toxicogenomic Database (CTD) describes the toxic effects of many chemicals on living species based on the literature. Read More

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http://dx.doi.org/10.3233/SHTI200164DOI Listing

Tools and strategies of systems metabolic engineering for the development of microbial cell factories for chemical production.

Chem Soc Rev 2020 Jun 22. Epub 2020 Jun 22.

Metabolic and Biomolecular Engineering National Research Laboratory, Systems Metabolic Engineering and Systems Healthcare (SMESH) Cross-Generation Collaborative Laboratory, Department of Chemical and Biomolecular Engineering (BK21 Plus Program), Institute for the BioCentury, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea. and Bioinformatics Research Center, KAIST, 291 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea and BioProcess Engineering Research Center, KAIST, 291 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea.

Sustainable production of chemicals from renewable non-food biomass has become a promising alternative to overcome environmental issues caused by our heavy dependence on fossil resources. Systems metabolic engineering, which integrates traditional metabolic engineering with systems biology, synthetic biology, and evolutionary engineering, is enabling the development of microbial cell factories capable of efficiently producing a myriad of chemicals and materials including biofuels, bulk and fine chemicals, polymers, amino acids, natural products and drugs. In this paper, many tools and strategies of systems metabolic engineering, including in silico genome-scale metabolic simulation, sophisticated enzyme engineering, optimal gene expression modulation, in vivo biosensors, de novo pathway design, and genomic engineering, employed for developing microbial cell factories are reviewed. Read More

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http://dx.doi.org/10.1039/d0cs00155dDOI Listing

Similarities between the Yin/Yang Doctrine and Hormesis in Toxicology and Pharmacology.

Trends Pharmacol Sci 2020 Jun 18. Epub 2020 Jun 18.

State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, China.

Hormesis is a generalizable dose-response relationship characterized by low-dose stimulation and high-dose inhibition. Despite debate over this biphasic dose-response curve, hormesis is challenging central beliefs in the evaluation of chemicals or drugs and has influenced biological model selection, concentration range, study design, and hypothesis testing. We integrate the traditional Chinese philosophy - Yin/Yang doctrine - into the representation of the Western hormetic dose-response relationship and review the Yin/Yang historical philosophy contained in the hormesis concept, aiming to promote general acceptance and wider applications of hormesis. Read More

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http://dx.doi.org/10.1016/j.tips.2020.05.004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7302776PMC

Aqueous chlorination of ephedrine: Kinetic, reaction mechanism and toxicity assessment.

Sci Total Environ 2020 Jun 12;740:140146. Epub 2020 Jun 12.

State Key Laboratory of Environmental Criteria and Risk Assessment, State Environmental Protection Key Laboratory of Ecological Effect and Risk Assessment of Chemicals, Chinese Research Academy of Environmental Sciences, Beijing 100012, China. Electronic address:

Ephedrine (EPH) is widely detected in the water environment, because it is the major ingredient in drugs treating influenza, asthma or hypotension, and is also a highly sought-after chemical precursor in the illicit manufacture of methamphetamine. In this study, transformation of EPH during the chlorination process was investigated for the first time, and the impact of water parameters including pH, different cations and anions on EPH transformation was evaluated as well. The degradation of EPH in the presence of NaClO fit the second order reaction kinetics, with a rate constant of 7. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2020.140146DOI Listing

Magnetic polyelectrolyte microcapsules via water-in-water droplet microfluidics.

Lab Chip 2020 Jun 18. Epub 2020 Jun 18.

Graduate Program in Biomedical Engineering, Ryerson University, Toronto M5B 2K3, Canada. and Department of Mechanical and Industrial Engineering, Ryerson University, Toronto M5B 2K3, Canada and Keenan Research Centre for Biomedical Science, St. Michael's Hospital, Toronto M5B 2K3, Canada and Institute for Biomedical Engineering, Science, and Technology (iBEST) - A partnership between Ryerson University and St. Michael's Hospital, Toronto M5B 1W8, Canada.

Polyelectrolyte microcapsules (PEMCs) have biocompatible microcompartments. Therefore, PEMCs are useful for applications in cosmetics, food, pharmaceutics, and other industries. The fabrication of PEMCs often involves the use of harsh chemicals or cytotoxic organic phases that make biomedical applications of the microcapsules challenging. Read More

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http://dx.doi.org/10.1039/d0lc00387eDOI Listing

Rifampicin and isoniazid behave as non-creatinine chromogens and interfere with Jaffe's reaction: A phenomenon with the potential to give a false-positive result in creatinine estimation.

Indian J Tuberc 2020 Apr 24;67(2):253-256. Epub 2019 Aug 24.

Department of Experimental Medicine and Biotechnology, PGIMER, Chandigarh, 160012, India. Electronic address:

Tuberculosis is a health concern worldwide. The anti-tubercular drugs (particularly rifampicin) used for its management offers side effects like acute kidney injury. Creatinine, which is recognised as an important biomarker for the renal function, is commonly estimated with Jaffe's reaction (alkaline picrate reaction). Read More

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http://dx.doi.org/10.1016/j.ijtb.2019.08.012DOI Listing

Molecular Image-Based Prediction Models of Nuclear Receptor Agonists and Antagonists Using the DeepSnap-Deep Learning Approach with the Tox21 10K Library.

Molecules 2020 Jun 15;25(12). Epub 2020 Jun 15.

Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo 204-8588, Japan.

The interaction of nuclear receptors (NRs) with chemical compounds can cause dysregulation of endocrine signaling pathways, leading to adverse health outcomes due to the disruption of natural hormones. Thus, identifying possible ligands of NRs is a crucial task for understanding the adverse outcome pathway (AOP) for human toxicity as well as the development of novel drugs. However, the experimental assessment of novel ligands remains expensive and time-consuming. Read More

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http://dx.doi.org/10.3390/molecules25122764DOI Listing

A comprehensive map of disease networks and molecular drug discoveries for glaucoma.

Sci Rep 2020 Jun 16;10(1):9719. Epub 2020 Jun 16.

The Key Laboratory for Human Disease Gene Study of Sichuan Province and the Center of Laboratory Medicine, Sichuan Provincial People's Hospital, University of Electronic Science and Technology of China, Chengdu, Sichuan, China.

Glaucoma is the leading cause of irreversible blindness worldwide. The molecular etiology of glaucoma is complex and unclear. At present, there are few drugs available for glaucoma treatment. Read More

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http://dx.doi.org/10.1038/s41598-020-66350-wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7298047PMC

Production and Potential Applications of Bioconversion of Chitin and Protein-Containing Fishery Byproducts into Prodigiosin: A Review.

Molecules 2020 Jun 13;25(12). Epub 2020 Jun 13.

Institute of Biotechnology and Environment, Tay Nguyen University, Buon Ma Thuot 630000, Vietnam.

The technology of microbial conversion provides a potential way to exploit compounds of biotechnological potential. The red pigment prodigiosin (PG) and other PG-like pigments from bacteria, majorly from , have been reported as bioactive secondary metabolites that can be used in the broad fields of agriculture, fine chemicals, and pharmacy. Increasing PG productivity by investigating the culture conditions especially the inexpensive carbon and nitrogen (C/N) sources has become an important factor for large-scale production. Read More

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http://dx.doi.org/10.3390/molecules25122744DOI Listing

Neuroprotection or Neurotoxicity of Illicit Drugs on Parkinson's Disease.

Life (Basel) 2020 Jun 11;10(6). Epub 2020 Jun 11.

Molecular Pathology and Forensic Biochemistry Laboratory, Centro de Investigação Interdisciplinar Egas Moniz, P-2825-084 Caparica, Portugal.

Parkinson's Disease (PD) is currently the most rapid growing neurodegenerative disease and over the past generation, its global burden has more than doubled. The onset of PD can arise due to environmental, sporadic or genetic factors. Nevertheless, most PD cases have an unknown etiology. Read More

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http://dx.doi.org/10.3390/life10060086DOI Listing

Predicting direct hepatocyte toxicity in humans by combining high-throughput imaging of HepaRG cells and machine learning-based phenotypic profiling.

Arch Toxicol 2020 Jun 12. Epub 2020 Jun 12.

NanoBio Lab and Institute of Bioengineering and Nanotechnology (IBN), 31 Biopolis Way, The Nanos, Singapore, 138669, Singapore.

Accurate prediction of drug- and chemical-induced hepatotoxicity remains to be a problem for pharmaceutical companies as well as other industries and regulators. The goal of the current study was to develop an in vitro/in silico method for the rapid and accurate prediction of drug- and chemical-induced hepatocyte injury in humans. HepaRG cells were employed for high-throughput imaging in combination with phenotypic profiling. Read More

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http://dx.doi.org/10.1007/s00204-020-02778-3DOI Listing

Sclerodermalike syndromes: Great imitators.

Clin Dermatol 2020 Mar - Apr;38(2):235-249. Epub 2019 Oct 24.

Department of Rheumatology and Immunology, University of Pécs Clinical Center, Pecs, Hungary. Electronic address:

Sclerodermalike syndromes (SLSs) comprise diseases with mucin deposition (eg, scleromyxedema, scleredema), with eosinophilia (eg, eosinophilic fasciitis), metabolic or biochemical abnormalities (eg, nephrogenic systemic fibrosis), or endocrine disorders (eg, POEMS syndrome, or polyneuropathy, organomegaly, endocrinopathy, monoclonal lymphoproliferative disorder, and hypothyroidism). Chronic graft-versus-host disease may also show sclerodermalike skin changes. Inherited progeria syndromes with early aging (eg, Werner syndrome) and a heterogeneous group of hereditary disorders with either skin thickening (eg, stiff skin syndrome) or atrophy and tightening (eg, acrogeria) can also imitate classic systemic sclerosis (SSc). Read More

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http://dx.doi.org/10.1016/j.clindermatol.2019.10.010DOI Listing
October 2019

Physiologically Based Pharmacokinetic Models Predicting Renal and Hepatic Concentrations of Industrial Chemicals after Virtual Oral Doses in Rats.

Chem Res Toxicol 2020 Jun 19. Epub 2020 Jun 19.

Laboratory of Drug Metabolism and Pharmacokinetics, Showa Pharmaceutical University, 3-3165 Higashi-tamagawa Gakuen, Machida, Tokyo 194-8543, Japan.

Recently developed high-throughput in vitro assays in combination with computational models could provide alternatives to animal testing. The purpose of the present study was to model the plasma, hepatic, and renal pharmacokinetics of approximately 150 structurally varied types of drugs, food components, and industrial chemicals after virtual external oral dosing in rats and to determine the relationship between the simulated internal concentrations in tissue/plasma and their lowest-observed-effect levels. The model parameters were based on rat plasma data from the literature and empirically determined pharmacokinetics measured after oral administrations to rats carried out to evaluate hepatotoxic or nephrotic potentials. Read More

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http://dx.doi.org/10.1021/acs.chemrestox.0c00009DOI Listing

Effect of Chicken Bone Extracts on Metabolic and Mitochondrial Functions of K562 Cell Line.

Pharmaceuticals (Basel) 2020 Jun 2;13(6). Epub 2020 Jun 2.

Department of Clinical and Experimental Medicine, University of Foggia, 71122 Foggia, Italy.

Background: Tetracyclines' use in intensive animal farming has raised some concerns regarding the biosafety for humans. Increasing evidences have revealed the presence of these drugs in processed animal by-products, such as bone, throughout the food chain. A potential off-target of tetracyclines is the bacterial-like mitochondrial translational machinery, thereby causing proteostatic alterations in mitochondrial DNA-encoded components of the oxidative phosphorylation system. Read More

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http://dx.doi.org/10.3390/ph13060114DOI Listing

Pranlukast Antagonizes CD49f and Reduces Stemness in Triple-Negative Breast Cancer Cells.

Drug Des Devel Ther 2020 12;14:1799-1811. Epub 2020 May 12.

Department of Pharmacology, School of Medicine, Universidad Nacional Autónoma de México, Mexico City, Mexico.

Introduction: Cancer stem cells (CSCs) drive the initiation, maintenance, and therapy response of breast tumors. CD49f is expressed in breast CSCs and functions in the maintenance of stemness. Thus, blockade of CD49f is a potential therapeutic approach for targeting breast CSCs. Read More

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http://dx.doi.org/10.2147/DDDT.S247730DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7229803PMC

Single and combined effects of the drugs salicylic acid and acetazolamide: Adverse changes in physiological parameters of the freshwater macrophyte, Lemna gibba.

Environ Toxicol Pharmacol 2020 May 30;79:103431. Epub 2020 May 30.

Departamento De Biologia, Universidade De Aveiro, Campusde Santiago, 3810-193 Aveiro, Portugal; Centro De Estudos Do Ambiente e Do Mar (CESAM), Universidade De Aveiro, Campus De Santiago, 3810-193 Aveiro, Portugal. Electronic address:

Pharmaceutical drugs are among the most used chemicals, for human and veterinary medicines, aquaculture and agriculture. Pharmaceuticals are biologically active molecules, having also environmental persistence, thereby exerting biological effects on non-target species. Among the most used pharmaceuticals, one may find salicylic acid (SA), a non-steroid anti-inflammatory drugs (NSAIDs), and acetazolamide (ACZ), a diuretic drug that acts by inhibiting the activity of carbonic anhydrase (CA). Read More

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http://dx.doi.org/10.1016/j.etap.2020.103431DOI Listing

Predicting The Effects of Chemical-Protein Interactions On Proteins Using Tensor Factorisation.

AMIA Jt Summits Transl Sci Proc 2020 30;2020:430-439. Epub 2020 May 30.

Insight Centre for Data Analytics, NUI Galway, Galway, Ireland.

Understanding the different effects of chemical substances on human proteins is fundamental for designing new drugs. It is also important for elucidating the different mechanisms of action of drugs that can cause side-effects. In this context, computational methods for predicting chemical-protein interactions can provide valuable insights on the relation between therapeutic chemical substances and proteins. Read More

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7233103PMC

[Pharmacological characteristics of chloroquine and suggestions for its use in treatment of coronavirus disease 2019 (COVID-19)].

Authors:
Q Gao

Zhongguo Xue Xi Chong Bing Fang Zhi Za Zhi 2020 Apr;32(2):119-122

Jiangsu Institute of Parasitic Diseases; WHO Collaborating Center for Research and Training on Malaria Elimination; Key Laboratory of National Health Commission on Parasitic Disease Control and Prevention; Jiangsu Provincial Key Laboratory on Parasite and Vector Control Technology, Wuxi 214064, China.

A novel coronavirus disease (COVID-19) was identified in Wuhan City, Hubei Province of China by the end of 2019, and then, the disease spread across China and became a global pandemic. Nevertheless, there are no effective treatments or vaccines for COVID-19 until now. In addition to the treatment of patients with COVID-19, the China Medical Treatment Expert Group for COVID-19 is active to study and screen effective antiviral drugs, and has found that chloroquine, an old antimalarial,shows activity against SARS-CoV-2. Read More

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http://dx.doi.org/10.16250/j.32.1374.2020092DOI Listing

Patterns, Associated Factors, and Clinical Outcomes of Poisoning among Poisoning Cases Presented to Selected Hospitals in Western Ethiopia: Hospital-Based Study.

Emerg Med Int 2020 6;2020:5741692. Epub 2020 May 6.

Wollega University, College of Health Science, School of Nursing and Midwifery, Department of Psychiatric Nursing, Nekemte, Ethiopia.

Results: The broad types of poisoning were identified in about 193 (91.47%) cases of poisoning in this study. Pesticides exposure and food poisoning have, respectively, contributed for 32. Read More

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http://dx.doi.org/10.1155/2020/5741692DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7225863PMC

Multienzyme chemiluminescent foldable biosensor for on-site detection of acetylcholinesterase inhibitors.

Biosens Bioelectron 2020 Aug 29;162:112232. Epub 2020 Apr 29.

Department of Chemistry "Giacomo Ciamician", University of Bologna, Via Selmi 2, 40126, Bologna, Italy; INBB, Istituto Nazionale di Biostrutture e Biosistemi, 00136, Rome, Italy; Health Sciences and Technologies-Interdepartmental Center for Industrial Research (HST-ICIR), University of Bologna, via Tolara di Sopra 41/E, 40064, Ozzano dell'Emilia, Bologna, Italy. Electronic address:

The rapid hydrolysis of acetylcholine (ACh), one of the key neurotransmitters in the human body, by the enzyme acetylcholinesterase (AChE) is fundamental for the termination of ACh impulse transmission. Several chemicals, including organophosphorus (OP) pesticides, warfare agents and drugs, are AChE reversible or irreversible inhibitors, thus their rapid on-site detection is of primary importance. Here we report for the first time a chemiluminescence (CL) foldable paper-based biosensor for detection of AChE inhibitors. Read More

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http://dx.doi.org/10.1016/j.bios.2020.112232DOI Listing

Actions on mammalian and insect nicotinic acetylcholine receptors of harmonine-containing alkaloid extracts from the harlequin ladybird Harmonia axyridis.

Pestic Biochem Physiol 2020 Jun 6;166:104561. Epub 2020 Mar 6.

School of Life Sciences, University of Nottingham, University Park, Nottingham NG7 2RD, UK. Electronic address:

The harlequin ladybird, Harmonia axyridis (H. axyridis), possesses a strong chemical defence that has contributed to its invasive success. Ladybird beetle defensive chemicals, secreted in response to stress and also found on the coating of laid eggs, are rich in alkaloids that are thought to be responsible for this beetle's toxicity to other species. Read More

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http://dx.doi.org/10.1016/j.pestbp.2020.104561DOI Listing

Disinfection technology of hospital wastes and wastewater: Suggestions for disinfection strategy during coronavirus Disease 2019 (COVID-19) pandemic in China.

Environ Pollut 2020 Jul 24;262:114665. Epub 2020 Apr 24.

National Institute of Environmental Health, Chinese Center for Disease Control and Prevention, China. Electronic address:

Hospitals are important sources of pollutants resulted from diagnostic, laboratory and research activities as well as medicine excretion by patients, which include active component of drugs and metabolite, chemicals, residues of pharmaceuticals, radioactive markers, iodinated contrast media, etc. The discharge of hospital wastes and wastewater, especially those without appropriate treatment would expose the public in danger of infection. In particular, under the Coronavirus Disease 2019 (COVID-19) pandemic context in China, it is of great significance to reduce the health risks to the public and environment. Read More

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http://dx.doi.org/10.1016/j.envpol.2020.114665DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7194566PMC
July 2020
4.143 Impact Factor

COVID-19, an opportunity to reevaluate the correlation between long-term effects of anthropogenic pollutants on viral epidemic/pandemic events and prevalence.

Food Chem Toxicol 2020 Jul 11;141:111418. Epub 2020 May 11.

Department of Legal Medicine and Toxicology, University of Granada School of Medicine, 180016 Granada, Spain. Electronic address:

Occupational, residential, dietary and environmental exposures to mixtures of synthetic anthropogenic chemicals after World War II have a strong relationship with the increase of chronic diseases, health cost and environmental pollution. The link between environment and immunity is particularly intriguing as it is known that chemicals and drugs can cause immunotoxicity (e.g. Read More

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http://dx.doi.org/10.1016/j.fct.2020.111418DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7211730PMC
July 2020
2.895 Impact Factor

Biotransformation capacity of zebrafish (Danio rerio) early life stages: Functionality of the mercapturic acid pathway.

Toxicol Sci 2020 May 19. Epub 2020 May 19.

Eawag, Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, Switzerland.

Zebrafish (Danio rerio) early life stages offer a versatile model system to study the efficacy and safety of drugs or other chemicals with regard to human and environmental health. This is because, aside from the well-characterized genome of zebrafish and the availability of a broad range of experimental and computational research tools, they are exceptionally well suited for high-throughput approaches. Yet, one important pharmacokinetic aspect is thus far only poorly understood in zebrafish embryo and early larvae: their biotransformation capacity. Read More

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http://dx.doi.org/10.1093/toxsci/kfaa073DOI Listing

Towards harmonisation of chemical monitoring using avian apex predators: Identification of key species for pan-European biomonitoring.

Sci Total Environ 2020 Aug 7;731:139198. Epub 2020 May 7.

UK Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg LA1 4AP, UK.

Biomonitoring in raptors can be used to study long-term and large-scale changes in environmental pollution. In Europe, such monitoring is needed to assess environmental risks and outcomes of chemicals regulation, which is harmonised across the European Union. To be effective, the most appropriate sentinels need to be monitored. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2020.139198DOI Listing

A high-throughput system combining microfluidic hydrogel droplets with deep learning for screening the antisolvent-crystallization conditions of active pharmaceutical ingredients.

Lab Chip 2020 Jun 18;20(11):1907-1916. Epub 2020 May 18.

Key Laboratory of Sensing Technology and Biomedical Instruments of Guangdong Province, School of Biomedical Engineering, Sun Yat-sen University, Guangzhou 510275, China.

Crystallization of active pharmaceutical ingredients (APIs) is a crucial process in the pharmaceutical industry due to its great impact in drug efficacy. However, conventional approaches for screening the optimal crystallization conditions of APIs are usually time-consuming, labor-intensive and expensive. Recently, droplet microfluidic technology has offered an alternative strategy for high-throughput screening of crystallization conditions. Read More

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http://dx.doi.org/10.1039/d0lc00153hDOI Listing

Biochemical and physiological responses of two clam species to Triclosan combined with climate change scenario.

Sci Total Environ 2020 Jul 23;724:138143. Epub 2020 Mar 23.

Departamento de Biologia & CESAM, Universidade de Aveiro, 3810-193 Aveiro, Portugal. Electronic address:

Ocean acidification and warming are among the man-induced factors that most likely impact aquatic wildlife worldwide. Besides effects caused by temperature rise and lowered pH conditions, chemicals of current use can also adversely affect aquatic organisms. Both climate change and emerging pollutants, including toxic impacts in marine invertebrates, have been investigated in recent years. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2020.138143DOI Listing

Superparamagnetic chitosan nanocomplexes for colorectal tumor-targeted delivery of irinotecan.

Int J Pharm 2020 Jun 11;584:119394. Epub 2020 May 11.

College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China. Electronic address:

Conventional chemotherapy is effective for metastatic tumors widely present in colorectal cancer patients; however, chemotherapy may cause severe systemic toxicity due to a lack of specificity towards cancer cells. Effective delivery systems that can enhance targeted drug delivery to the desired tumor site and simultaneously protect the activity of drugs are in high demand. To that end, this study developed chitosan-based polyelectrolyte complexes (PECs) with the orientation of superparamagnetic nanoparticles, which enables the targeting delivery of the first-line model drug irinotecan (IRT) to the tumor area under a magnetic field. Read More

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http://dx.doi.org/10.1016/j.ijpharm.2020.119394DOI Listing

Elucidation of OATP1B1 and 1B3 transporter function using transgenic rodent models and commonly known single nucleotide polymorphisms.

Toxicol Appl Pharmacol 2020 Jul 11;399:115039. Epub 2020 May 11.

Department of Pharmacology, Toxicology and Therapeutics, School of Medicine, University of Kansas, Kansas City, KS, United States of America.

The clearance of many drugs from the blood into the liver, such as the statins, is dependent on the organic anion transporting polypeptides (OATPs). Patients with *5 and *15 polymorphisms of OATP1B1 remove less of the statin as it traverses the liver and thus more reaches the rest of the body, including the skeletal muscle where it can cause myalgia, myopathy, and rhabdomyolysis. OATP1B1 polymorphisms also affect the pharmacokinetics of anticancer drugs (methotrexate, taxanes, and doxorubicin) and numerous anti-hypertensive drugs. Read More

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http://dx.doi.org/10.1016/j.taap.2020.115039DOI Listing

Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches.

Chem Res Toxicol 2020 May 14. Epub 2020 May 14.

Grupo de Investigación Prometeus & Biomedicina Aplicada a las Ciencias Clínicas, Área de Bioquímica, Campus de Zaragocilla, Facultad de Medicina, Universidad de Cartagena, Cartagena de Indias 130001, Colombia.

Drug-induced liver injury (DILI) is a key safety issue in the drug discovery pipeline and a regulatory concern. Thus, many tools have been proposed to improve the hepatotoxicity prediction of organic-type chemicals. Here, classifiers for the prediction of DILI were developed by using QuBiLS-MAS 0-2. Read More

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http://dx.doi.org/10.1021/acs.chemrestox.0c00030DOI Listing

Human pharmaceutical and pesticide residues in Israeli dairy milk in association with dietary risk assessment.

Food Addit Contam Part B Surveill 2020 May 14:1-11. Epub 2020 May 14.

Department of Food Quality & Safety, Institute for Postharvest and Food Sciences, Agricultural Research Organization, Volcani Center, Rishon LeZiyyon, Israel.

Throughout the world, more than six billion people consume milk and milk products yearly. The safety and quality of dairy milk are regularly monitored in most countries worldwide. The Israeli monitoring program of chemical residues in milk has not changed in the last decades, focusing only on major veterinary drugs and few selected environmental contaminants such as heavy metals and persistent organic pollutants. Read More

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http://dx.doi.org/10.1080/19393210.2020.1764114DOI Listing

Evaluation of the Effects of Agro Pesticides Use on Liver and Kidney Function in Farmers from Buea, Cameroon.

J Toxicol 2020 29;2020:2305764. Epub 2020 Jan 29.

Laboratory for Drugs and Molecular Diagnostics Research (ANDI Centre of Excellence for Onchocerciasis Drug Research), Biotechnology Unit, University of Buea, Buea, Cameroon.

Agro pesticides are increasingly used worldwide to increase crop production. However, health hazards resulting from human exposure to these chemicals, especially from agricultural areas of developing countries have been a growing concern. The objective of this study was to evaluate the impact of occupational exposure to agro pesticides on the health of farmers in the Buea subdivision, which is one of the major agrarian areas in Cameroon. Read More

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http://dx.doi.org/10.1155/2020/2305764DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7204329PMC
January 2020

A Mechanistic High-Content Analysis Assay Using a Chimeric Androgen Receptor That Rapidly Characterizes Androgenic Chemicals.

SLAS Discov 2020 May 11:2472555220922917. Epub 2020 May 11.

Molecular and Cellular Biology, Baylor College of Medicine, Houston, TX, USA.

Human health is at risk from environmental exposures to a wide range of chemical toxicants and endocrine-disrupting chemicals (EDCs). As part of understanding this risk, the U.S. Read More

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http://dx.doi.org/10.1177/2472555220922917DOI Listing

A Retrospective Records-Based Cohort of 1,082 Pediatric Forensic Cases Presenting to the Emergency Department.

J Emerg Nurs 2020 May;46(3):373-383

Introduction: This study was conducted to determine the pediatric forensic case type and demographic characteristics of patients presenting to the emergency department.

Methods: This study was a medical record-based cohort design, with a descriptive correlational analysis. Records were retrieved from the emergency department of a university hospital, in the Central Anatolia Region, for visits between 2013 and 2018. Read More

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http://dx.doi.org/10.1016/j.jen.2020.02.009DOI Listing

Pre-Chemistry Concepts and Medical Therapy among the Ancient Physicians through the Pre-Socratic Philosophers.

Endocr Metab Immune Disord Drug Targets 2020 May 8. Epub 2020 May 8.

Emergency/Urgent Department - National Poisoning Center, Riuniti University Hospital of Foggia, Foggia. Italy.

Background: Chemistry as experimental science it began only in the seventeenth century, when it began to analyze the matter and its transformations with scientific method, moving away from being one of the alchemy doctrines. Previously the ancient pre-Socratic philosophy through observation for nature is concerned with the laws that govern it and the property of matter. Later the Hellenistic Alexandrian culture took possession of the Hermetic doctrines of the Egyptians, mixing them, with the pre-Socratic thought and Gnosticism. Read More

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http://dx.doi.org/10.2174/1871530320666200508115041DOI Listing

Repurposing of Alexidine Dihydrochloride as an Apoptosis-Initiator and Cell Cycle Inhibitor in Human Pancreatic Cancer.

Anticancer Agents Med Chem 2020 May 7. Epub 2020 May 7.

Department of Medical Genetics, Yeditepe University Medical School and Yeditepe University Hospital, Istanbul. Turkey.

Background: Highly aggressive and resistant to chemotherapy, pancreatic cancers are the fourth leading cause of cancer-related deaths in the western world. The absence of effective chemotherapeutics is leading researchers to develop novel drugs or repurpose existing chemicals. Alexidine Dihydrochloride (AD), an orally bioavailable bisbiguanide compound, is an apoptosis stimulating reagent. Read More

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http://dx.doi.org/10.2174/1871520620666200508085439DOI Listing
May 2020
2.469 Impact Factor

Toxicity of fluoride: critical evaluation of evidence for human developmental neurotoxicity in epidemiological studies, animal experiments and in vitro analyses.

Arch Toxicol 2020 05 8;94(5):1375-1415. Epub 2020 May 8.

Department of Toxicology, Leibniz Research Centre for Working Environment and Human Factors (IfADo), Dortmund, Germany.

Recently, epidemiological studies have suggested that fluoride is a human developmental neurotoxicant that reduces measures of intelligence in children, placing it into the same category as toxic metals (lead, methylmercury, arsenic) and polychlorinated biphenyls. If true, this assessment would be highly relevant considering the widespread fluoridation of drinking water and the worldwide use of fluoride in oral hygiene products such as toothpaste. To gain a deeper understanding of these assertions, we reviewed the levels of human exposure, as well as results from animal experiments, particularly focusing on developmental toxicity, and the molecular mechanisms by which fluoride can cause adverse effects. Read More

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http://dx.doi.org/10.1007/s00204-020-02725-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7261729PMC