353,620 results match your criteria compound


Application of cation-π interactions in enzyme-substrate binding: Design, synthesis, biological evaluation, and molecular dynamics insights of novel hydrophilic substrates for NQO1.

Eur J Med Chem 2021 May 6;221:113515. Epub 2021 May 6.

Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing, 211198, China; Department of Chemistry, China Pharmaceutical University, Nanjing, 211198, China. Electronic address:

Cation-π interaction is a type of noncovalent interaction formed between the π-electron system and the positively charged ion or moieties. In this study, we designed a series of novel NQO1 substrates by introducing aliphatic nitrogen-containing side chains to fit with the L-shaped pocket of NQO1 by the formation of cation-π interactions. Molecular dynamics (MD) simulation indicated that the basic N atom in the side chain of NQO1 substrates, which is prone to be protonated under physiological conditions, can form cation-π interactions with the Phe232 and Phe236 residues of the NQO1 enzyme. Read More

View Article and Full-Text PDF

Design, synthesis, and biological evaluation of novel tetrahydroprotoberberine derivatives to reduce SREBPs expression for the treatment of hyperlipidemia.

Eur J Med Chem 2021 May 5;221:113522. Epub 2021 May 5.

State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing, 210009, China; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing, 210009, China. Electronic address:

Statins play an important role in the treatment of hyperlipidemia, but drug resistance and adverse effects greatly limits their application. To discover new lipid-lowering drugs, three different series of tetrahydroprotoberberine derivatives (THPBs) were designed and synthesized. These compounds were first tested for their effects on viability of HepG2 cells and 21 compounds with the percent of cell viability over 90% were further screened to evaluate their ability to reduce total cholesterol (TC) and triglyceride (TG) levels. Read More

View Article and Full-Text PDF

Hybrids between HS-donors and betamethasone 17-valerate or triamcinolone acetonide inhibit mast cell degranulation and promote hyperpolarization of bronchial smooth muscle cells.

Eur J Med Chem 2021 May 5;221:113517. Epub 2021 May 5.

Department of Pharmacy, University of Naples «Federico II», Via D. Montesano 49, Naples, Italy. Electronic address:

Glucocorticoids represent the standard gold treatment of inflammation in asthmatic patients. More recently, HS has been described to exert positive effect on this disease. Bearing in mind that an improved pharmacological activity and a reduced toxicity can be obtained through hybridization of different molecules, simultaneously modulating multiple targets, we designed and synthesized novel betamethasone 17-valerate and triamcinolone acetonide hybrids with well-known HS-donor moieties. Read More

View Article and Full-Text PDF

Variability in real-world emissions and fuel consumption by diesel construction vehicles and policy implications.

Sci Total Environ 2021 Apr 22;786:147256. Epub 2021 Apr 22.

Research Center for Eco-Environmental Engineering, Dongguan University of Technology, Dongguan 523830, China. Electronic address:

Strategically reducing the emission of non-road mobile source especially diesel construction vehicle (DCV) has a large potential in improving air quality and has attracted much scientific and public attention in recent years around the world. In this study, we explored real-world fuel consumption rate and gaseous emissions factors for multiple pollutants of three typical DCVs in China. The sampling campaign considered the operation mode, cumulative operation hour, emission standard stage and engine power. Read More

View Article and Full-Text PDF

Mechanistic insight of simultaneous removal of tetracycline and its related antibiotic resistance bacteria and genes by ferrate(VI).

Sci Total Environ 2021 May 3;786:147492. Epub 2021 May 3.

College of the Environment and Ecology, Xiamen University, Xiamen 361102, China. Electronic address:

The emergence of antibiotics and their corresponding antibiotic resistant bacteria (ARB) and antibiotic resistance genes (ARGs) have posed great challenges to the public health. The paper demonstrates the removal of co-existing tetracycline (TC), its resistant Escherichia coli (E. coli), and ARGs (tetA and tetR) in a mixed system by applying ferrate(VI) (FeO, Fe(VI)) at pH 7. Read More

View Article and Full-Text PDF

Sorptive and microbial riddance of micro-pollutant ibuprofen from contaminated water: A state of the art review.

Sci Total Environ 2021 May 1;786:147327. Epub 2021 May 1.

Department of Chemical Engineering, National Institute of Technology Durgapur, India. Electronic address:

Continuous discharge of ibuprofen, a pharmaceutical compound in local water systems is becoming a budding concern as seen from data procured from the past few decades. Increased concentrations of the compound in water reservoirs resulted in adverse effects on the environment. In order to prevent the deleterious impacts of increasing ibuprofen concentration in water bodies, application of cost effective and energy efficient elimination of ibuprofen (IBP) is needed. Read More

View Article and Full-Text PDF

SAUL, a single-arm study of atezolizumab for chemotherapy-pretreated locally advanced or metastatic carcinoma of the urinary tract: outcomes by key baseline factors, PD-L1 expression and prior platinum therapy.

ESMO Open 2021 May 10;6(3):100152. Epub 2021 May 10.

Englander Institute for Precision Medicine, Department of Medical Oncology, Weill Cornell Medicine, Meyer Cancer Center, New York, USA.

Background: The impact of pretreatment factors on immune checkpoint inhibition in platinum-refractory advanced urothelial cancer (aUC) deserves further evaluation. The aim was to study the association of Bellmunt risk factors, time from last chemotherapy (TFLC), previous therapy and PD-L1 expression with atezolizumab efficacy in platinum-refractory aUC.

Patients And Methods: This was a post-hoc analysis of patients who had received prior cisplatin or carboplatin in the prospective, single-arm, phase IIIb SAUL study (NCT02928406). Read More

View Article and Full-Text PDF

Selective enzymatic α-1,6- monoglucosylation of mogroside IIIE for the bio-creation of α-siamenoside I, a potential high-intensity sweetener.

Food Chem 2021 Apr 23;359:129938. Epub 2021 Apr 23.

Department of Biochemistry, College of Life Sciences and Technology, China Pharmaceutical University, 639 Longmian Road, Nanjing, Jiangsu Province 211198, PR China. Electronic address:

A new compound, α-siamenoside I (α-SI), with a glucose unit selectively bound to the 6-hydroxyl group of the 24-O-β-glucosyl moiety of mogroside IIIE by α-1,6-glucosidic bond, was bio-created by two screened cyclodextrin glycosyltransferases with a maximum yield of 59.3%. Compared to mogroside IIIE, α-SI showed a significantly increased sweetness intensity (508 times sweeter than 5% sucrose), which is superior to siamenoside I (SI), the sweetest triterpenoid saponin isolated from Siraitia grosvenorii to date. Read More

View Article and Full-Text PDF

Existence of β-diketone form of curcuminoids revealed by NMR spectroscopy.

Food Chem 2021 May 3;360:130000. Epub 2021 May 3.

Department of Spice and Flavour Science, CSIR-Central Food Technological Research Institute, Mysore, Karnataka 570020, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India. Electronic address:

Curcumin (CUR), demethoxycurcumin (DMC) and bisdemethoxycurcumin (BDMC) - the class of natural compound derived from turmeric can exist as keto-enol and β-diketone tautomer form. The structure and dynamics of particular relevance CUR is reported in prior studies, whereas DMC and BDMC, by far, have not been scrutinized. In the present studies, we have investigated the detailed molecular structure of CUR, DMC and BDMC by employing NMR spectroscopy as a key tool. Read More

View Article and Full-Text PDF

Characterization of functional chocolate formulated using oleogels derived from β-sitosterol with γ-oryzanol/lecithin/stearic acid.

Food Chem 2021 May 6;360:130017. Epub 2021 May 6.

School of Food Science and Biological Engineering, Hefei University of Technology, Hefei 230009, PR China; Collaborative Innovation Center for Food Production and Safety, School of Biological Science and Engineering, North Minzu University, Yinchuan 750021, PR China. Electronic address:

With an aim to prepare the functional chocolate, corn oil was used as the base oil and β-sitosterol was combined with oryzanol/stearic acid/lecithin to prepare respective oleogels (GO, SO, and LO). Oleogels (12%) were prepared by adding compound oleogelators at different ratios [GO-2:3, SO-1:4, and LO-4:1 (w/w)] in corn oil. The microstructure, interaction, thermodynamic, crystalline, and rheological behavior of formulated oleogels were studied by microscopic observation, Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), X-ray diffraction (XRD), and rotational rheometer, respectively. Read More

View Article and Full-Text PDF

Analytical validation of an ultraviolet-visible procedure for determining vitamin D in vitamin D-loaded microparticles and toxigenetic studies for incorporation into food.

Food Chem 2021 May 3;360:129979. Epub 2021 May 3.

Program of Food Technology (PPGTA), Federal University of Technology - Paraná (UTFPR-CM), via Rosalina Maria Dos Santos, 1233 CEP 87301-899, Campo Mourão, Paraná, Brazil; Centro de Investigação de Montanha (CIMO), Instituto Politécnico de Bragança, Campus Santa Apolónia, 5300-253 Bragança, Portugal. Electronic address:

Vitamin D is a water-insoluble compound presented in two main forms (D and D), susceptible to environmental conditions. Microencapsulation is an alternative to supplements and preserve vitamin D properties in foods. Entrapment efficiency (EE) is the main property to evaluate the encapsulation effectiveness and therefore it is of interest the study of analytical methods for the identification and quantification of this compound within the particle. Read More

View Article and Full-Text PDF

Whole Exome Sequencing and Functional Characterization Increase Diagnostic Yield in Siblings with a 46, XY Difference of Sexual Development (DSD).

J Steroid Biochem Mol Biol 2021 May 10:105908. Epub 2021 May 10.

Edward Mallinckrodt Department of Pediatrics, Washington University School of Medicine and St. Louis Children's Hospital, St. Louis, MO, USA. Electronic address:

Pathogenic biallelic variants in HSD17B3 result in 17β-hydroxysteroid dehydrogenase 3 (17β-HSD3) deficiency, variable disruption of testosterone production, and phenotypic diversity among 46, XY individuals with differences of sexual development (DSDs). We performed quad whole exome sequencing (WES) on two male siblings with microphallus, perineal hypospadias, and bifid scrotum and their unaffected parents. Both male siblings were compound heterozygous for a rare pathogenic HSD17B3 variant (c. Read More

View Article and Full-Text PDF

Network pharmacology integrated with experimental validation reveals the regulatory mechanism of plastrum testudinis in treating senile osteoporosis.

J Ethnopharmacol 2021 May 10:114198. Epub 2021 May 10.

The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, 510405, China; Lingnan Medical Research Center of Guangzhou Univercity of Chinese Medicine, Guangzhou, 510405, China. Electronic address:

Ethnopharmacological Relevance: Plastrum testudinis (PT) has been used in traditional Chinese medicine to treat bone diseases such as senile osteoporosis (SOP) for thousands of years. However, the underlying mechanisms remain largely unknown.

Aim Of The Study: This study aims to investigate the possible molecular mechanism of PT in the treatment of SOP using an integrated strategy of network pharmacology and experimental validation. Read More

View Article and Full-Text PDF

Cynaroside prevents macrophage polarization into pro-inflammatory phenotype and alleviates cecal ligation and puncture-induced liver injury by targeting PKM2/HIF-1α axis.

Fitoterapia 2021 May 10:104922. Epub 2021 May 10.

College of Life Science, Zhejiang Chinese Medical University, 310053 Hangzhou, China. Electronic address:

The treatment of sepsis is still challenging and the liver is an important target of sepsis-related injury. Macrophages are important innate immune cells in liver, and modulation of macrophages M1/M2 polarization may be a promising strategy for septic liver injury treatment. Macrophage polarization and inflammation of liver tissue has been shown regulated by pyruvate kinase M2 (PKM2)-mediated aerobic glycolysis and immune inflammatory pathways. Read More

View Article and Full-Text PDF

New sterols from the South China Sea sponges Halichondria sp.

Fitoterapia 2021 May 10:104918. Epub 2021 May 10.

State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Zhangjiang Hi-Tech Park, Shanghai 201203, China; Open Studio for Druggability Research of Marine Natural Products, Pilot National Laboratory for Marine Science and Technology (Qingdao), 1 Wenhai Road, Aoshanwei, Jimo, Qingdao 266237, China. Electronic address:

A detailed chemical investigation of two specimen of South China Sea sponges Halichondria sp. (No. 19-XD-47 and No. Read More

View Article and Full-Text PDF

Early Lethal Noncompaction Cardiomyopathy in siblings with compound heterozygous RYR2 variants: A Case Report.

Can J Cardiol 2021 May 10. Epub 2021 May 10.

Department of Pediatric Cardiology, University Medical Center Utrecht, Utrecht, the Netherlands. Electronic address:

Two siblings present with early lethal noncompaction cardiomyopathy (NCCM). Both carry compound heterozygous variants in the ryanodine receptor gene (RYR2). Evolving animal and human data have begun to implicate a role for RYR2 dysfunction in the development of NCCM. Read More

View Article and Full-Text PDF

Health beneficial and pharmacological properties of p-cymene.

Food Chem Toxicol 2021 May 10:112259. Epub 2021 May 10.

Laboratory of Human Pathologies Biology, Department of Biology, Faculty of Sciences, and Genomic Center of Human Pathologies, Mohammed V University, Rabat, Morocco. Electronic address:

p-cymene also known as p-cymol or p-isopropyltoluene is an alkyl-substituted aromatic compound naturally occurring in essential oils (EOs) of various aromatic plants, including the genus of Artemisia, Protium, Origanum, and Thymus. It is related to the family of terpenes, especially monocyclic monoterpenes. p-cymene is also present in several food-based plants such as carrots, orange juice, grapefruit, tangerine, raspberries and several spices. Read More

View Article and Full-Text PDF

The binding of LDN193189 to CD133 C-terminus suppresses the tumorigenesis and immune escape of liver tumor-initiating cells.

Cancer Lett 2021 May 10. Epub 2021 May 10.

NHC Key Laboratory of Glycoconjugates Research, Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Fudan University, Shanghai, 200032, PR China. Electronic address:

The tumor-initiating cell (TIC) marker CD133 promotes TIC self-renewal and tumorigenesis through the tyrosine phosphorylation of its c-terminal domain. Therefore, finding compounds that target the phosphorylation of CD133 will provide an effective method for inhibiting TICs characteristics. Here, through small molecule microarray screening, compound LDN193189 was found to bind to the c-terminus of CD133 and influenced its tyrosine phosphorylation. Read More

View Article and Full-Text PDF

Electrophysiological evidence for the coexistence of expectancy fulfillment and semantic integration during the processing of binding and compound nouns.

Authors:
Fei Li Xu Xu

Int J Psychophysiol 2021 May 10. Epub 2021 May 10.

School of Foreign Languages, Shanghai Jiao Tong University, China. Electronic address:

This study employed electrophysiological measures to investigate the processes of expectancy fulfillment and semantic integration during the processing of binding and compound nouns in Chinese. Sequential expectancy and cloze probability between the two constituents of a two-character noun were manipulated in two experiments, resulting in four types of target characters (i.e. Read More

View Article and Full-Text PDF

Secondary indoor air pollution and passive smoking associated with cannabis smoking using electric cigarette device-demonstrative in silico study.

PLoS Comput Biol 2021 May 13;17(5):e1009004. Epub 2021 May 13.

Indoor Air Quality Program, Environmental Health Laboratory, California Department of Public Health, Richmond, California, United States of America.

With electronic (e)-liquids containing cannabis components easily available, many anecdotal examples of cannabis vaping using electronic cigarette devices have been reported. For electronic cigarette cannabis vaping, there are potential risks of secondary indoor air pollution from vapers. However, quantitative and accurate prediction of the inhalation and dermal exposure of a passive smoker in the same room is difficult to achieve due to the ethical constraints on subject experiments. Read More

View Article and Full-Text PDF

Phytohemagglutinin ameliorates HFD-induced obesity by increasing energy expenditure.

J Mol Endocrinol 2021 May 1. Epub 2021 May 1.

X Liu, Institute of Neuroscience and Translational Medicine, Zhoukou Normal University, Zhoukou, China.

Despite all modern advances in medicine, there are few reports of effective and safe drugs to treat obesity. Our objective was to screen anti-obesity natural compounds, and to verify whether they can reduce the body weight gain and investigate their molecular mechanisms. By using drug-screening methods, Phytohemagglutinin (PHA) was found to be the most anti-obesity candidate natural compound. Read More

View Article and Full-Text PDF

Aromatic Polyketides and Hydroxamate Siderophores from a Marine-Algae-Derived Species.

J Nat Prod 2021 May 13. Epub 2021 May 13.

Key Laboratory of Marine Drugs, Ministry of Education of China, School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, People's Republic of China.

Four new aromatic polyketides, wailupemycins M-P (-), and two new hydroxamate siderophores, streptamides A () and B (), together with the previously reported nocardamine (), were isolated from the marine-algae-derived sp. OUCMDZ-3434. Wailupemycins M-P (-), possessing an α-pyrone moiety, were isolated from the extract of a liquid fermentation, and the siderophores (-) were isolated from the extract of a solid fermentation. Read More

View Article and Full-Text PDF

New isolate from Salvinia molesta with antioxidant and urease inhibitory activity.

Drug Dev Res 2021 May 13. Epub 2021 May 13.

Drug Design Development Research Group, Department of Chemistry, Universiti Malaya, Kuala Lumpur, Malaysia.

Urease plays a significant role in the pathogenesis of urolithiasis pyelonephritis, urinary catheter encrustation, hepatic coma, hepatic encephalopathy, and peptic acid duodenal ulcers. Salvinia molesta was explored to identify new bioactive compounds with particular emphasis on urease inhibitors. The aqueous methanol extract was fractionated using solvents of increasing polarity. Read More

View Article and Full-Text PDF

Selective Cadmium Fluorescence Probe Based on Bis-heterocyclic Molecule and its Imaging in Cells.

J Fluoresc 2021 May 13. Epub 2021 May 13.

Department of Biophysical Chemistry, Kobe Pharmaceutical University, 4-19-1 Motoyamakita Machi, Higashinada-Ku, Kobe, 658-8558, Japan.

Fluorescence probes that selectively image cadmium are useful for detecting and tracking the amount of Cd in cells and tissues. In this study, we designed and synthesized a novel Cd fluorescence probe based on the pyridine-pyrimidine structure, 4-(methylsulfanyl)-6-(pyridin-2-yl)pyrimidin-2-amine (3), as a low-molecular-weight fluorescence probe for Cd. Compound 3 could successfully discriminate between Cd and Zn and exhibited a highly selective turn-on response toward Cd over biologically related metal ions. Read More

View Article and Full-Text PDF

Decrease in Skin Prion-Seeding Activity of Prion-Infected Mice Treated with a Compound Against Human and Animal Prions: a First Possible Biomarker for Prion Therapeutics.

Mol Neurobiol 2021 May 13. Epub 2021 May 13.

Departments of Pathology and Neurology, Case Western Reserve University School of Medicine, Cleveland, OH, 44106, USA.

Previous studies have revealed that the infectious scrapie isoform of prion protein (PrP) harbored in the skin tissue of patients or animals with prion diseases can be amplified and detected through the serial protein misfolding cyclic amplification (sPMCA) or real-time quaking-induced conversion (RT-QuIC) assays. These findings suggest that skin PrP-seeding activity may serve as a biomarker for the diagnosis of prion diseases; however, its utility as a biomarker for prion therapeutics remains largely unknown. Cellulose ethers (CEs, such as TC-5RW), widely used as food and pharmaceutical additives, have recently been shown to prolong the lifespan of prion-infected mice and hamsters. Read More

View Article and Full-Text PDF

Quaternary ammonium salts based on (-)-borneol as effective inhibitors of influenza virus.

Arch Virol 2021 May 13. Epub 2021 May 13.

N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Lavrentjev Avenue 9, Novosibirsk, Russia, 630090.

A series of compounds containing a 1,7,7-trimethylbicyclo[2.2.1]heptane fragment were evaluated for their antiviral activity against influenza A virus strain A/Puerto Rico/8/34 (H1N1) in vitro. Read More

View Article and Full-Text PDF

Integrated Genomic and Functional Characterization of the Anti-diabetic Potential of Arthrobacter sp. SW1.

Curr Microbiol 2021 May 13. Epub 2021 May 13.

National Centre for Microbial Resource (NCMR), National Centre for Cell Science (NCCS), Central Tower, Sai Trinity Complex, Pashan, Pune, 411021, India.

For decades, bacterial natural products have served as valuable resources for developing novel drugs to treat several human diseases. Recent advancements in the integrative approach of using genomic and functional tools have proved beneficial in obtaining a comprehensive understanding of these biomolecules. This study presents an in-depth characterization of the anti-diabetic activity exhibited by a bacterial isolate SW1, isolated from an effluent treatment plant. Read More

View Article and Full-Text PDF

Biradicaloid Behavior of a Twisted Double Bond.

J Phys Chem Lett 2021 May 13:4729-4734. Epub 2021 May 13.

Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan.

A compound with a highly twisted C═C bond in the intermediate bond dissociation region was isolated, and its biradicaloid nature was experimentally demonstrated. A bianthrone derivative substituted with long-chain alkoxy groups was synthesized, and its twisted conformer was assembled into crystals through hydrophobic intermolecular interactions of the introduced alkoxy chains. X-ray crystallography revealed that the C═C bond connecting the two anthrone rings has a long bond length (1. Read More

View Article and Full-Text PDF

Phenylpropanoid Metabolism in Astringent and Nonastringent Persimmon () Cultivars Determines Sensitivity to Infection.

J Agric Food Chem 2021 May 13. Epub 2021 May 13.

Department of Postharvest Science of Fresh Produce, Agricultural Research Organization (ARO), Volcani Center, Rishon LeZion 7505101, Israel.

Fruits of nonastringent persimmon cultivars, as compared to astringent ones, were more resistant to infection despite having lower polyphenol content. Metabolic analysis from the pulp of nonastringent "Shinshu", as compared to the astringent "Triumph", revealed a higher concentration of salicylic, coumaric, quinic, 5--feruloyl quinic, ferulic acids, β-glucogallin, gallocatechin, catechin, and procyanidins. Selected compounds like salicylic, ferulic, and ρ-coumaric acids inhibited growth, and higher activity was demonstrated for methyl ferulic and methyl ρ-coumaric acids. Read More

View Article and Full-Text PDF