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Reversed phase versus hydrophilic interaction liquid chromatography as first dimension of comprehensive two-dimensional liquid chromatography systems for the elucidation of the polyphenolic content of food and natural products.

J Chromatogr A 2021 Mar 31;1645:462129. Epub 2021 Mar 31.

Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, 98168 Messina, Italy; Chromaleont s.r.l., c/o Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, 98168 Messina, Italy; Department of Sciences and Technologies for Human and Environment, University Campus Bio-Medico of Rome, 00128 Rome, Italy; BeSep s.r.l., c/o Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, 98168 Messina, Italy.

Comprehensive two-dimensional liquid chromatography is a well-established method for the unraveling of very complex real-world samples. With regard to food and natural products such a technique turned out to be a very promising approach due to its high resolving power and improved identification capability, especially in combination with mass spectrometry. In this context, polyphenols comprise a particular complex class of bioactive compounds, due to their nature and content in commonly consumed foodstuffs, making their analysis challenging. Read More

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Repressors of anthocyanin biosynthesis.

New Phytol 2021 Apr 17. Epub 2021 Apr 17.

Department of Ecology and Evolutionary Biology, University of Connecticut, 75 North Eagleville Road, Storrs, CT, USA, 06269-3043.

Anthocyanins play a variety of adaptive roles in both vegetative tissues and reproductive organs of plants. The broad functionality of these compounds requires sophisticated regulation of the anthocyanin biosynthesis pathway to allow proper localization, timing, and optimal intensity of pigment deposition. While it is well-established that the committed steps of anthocyanin biosynthesis are activated by a highly conserved MYB-bHLH-WDR (MBW) protein complex in virtually all flowering plants, anthocyanin repression seems to be achieved by a wide variety of protein and small RNA families that function in different tissue types and in response to different developmental, environmental, and hormonal cues. Read More

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Establishment of The Tandem Mass Spectrometric Fingerprints of Taxane-Based Anticancer Compounds.

Rapid Commun Mass Spectrom 2021 Apr 17:e9107. Epub 2021 Apr 17.

College of Pharmacy and Nutrition, University of Saskatchewan, Saskatoon, SK, Canada.

Compounds in the taxane drug family are among the most successful and effective chemotherapeutic agents used for the treatment of solid tumors, such as breast, ovarian, and prostate cancers. The tandem mass spectrometric (MS/MS) fragmentation behavior of these compounds are described in detail and a generalized MS/MS fingerprint is established for the first time. Five compounds were evaluated, namely paclitaxel, docetaxel, cabazitaxel, cephalomannine, and Baccatin III. Read More

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High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.

Protein Cell 2021 Apr 17. Epub 2021 Apr 17.

Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai, 201210, China.

A new coronavirus (SARS-CoV-2) has been identified as the etiologic agent for the COVID-19 outbreak. Currently, effective treatment options remain very limited for this disease; therefore, there is an urgent need to identify new anti-COVID-19 agents. In this study, we screened over 6,000 compounds that included approved drugs, drug candidates in clinical trials, and pharmacologically active compounds to identify leads that target the SARS-CoV-2 papain-like protease (PLpro). Read More

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Anticancer activity of limonene: A systematic review of target signaling pathways.

Phytother Res 2021 Apr 17. Epub 2021 Apr 17.

Laboratory of Neuroscience and Pharmacological Assays (LANEF), Department of Physiology, Federal University of Sergipe, São Cristóvão, Brazil.

Limonene (LIM) is a monoterpene, which is abundant in essential oils of Citrus fruits peels (Rutaceae). More recently, LIM, as a potential natural anticancer compound, has attracted major attention and exerted a chemopreventive activity, stimulating the detoxification of carcinogenic compounds and limiting tumor growth and angiogenesis in various cancer models. Twenty-six (26) articles were selected based on previously established criteria. Read More

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A high-resolution typical pollution source emission inventory and pollution source changes during the COVID-19 lockdown in a megacity, China.

Environ Sci Pollut Res Int 2021 Apr 16. Epub 2021 Apr 16.

China-UK Low Carbon College, Shanghai Jiao Tong University, Shanghai, 200240, China.

To control the spread of COVID-19, China has imposed national lockdown policies to restrict the movement of its population since the Chinese New Year of January 2020. In this study, we quantitatively analyzed the changes of pollution sources in Shanghai during the COVID-19 lockdown; a high-resolution emission inventory of typical pollution sources including stationary source, mobile source, and oil and gas storage and transportation source was established based on pollution source data from January to February 2020. The results show that the total emissions of sulfur dioxide (SO), nitrogen oxides (NO), particulate matter (PM), and volatile organic compounds (VOCs) were 9520. Read More

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Determination of pharmaceuticals in solid samples in municipal wastewater treatment plants by online SPE LC-MS/MS using QuEChERS extraction.

Environ Monit Assess 2021 Apr 17;193(5):279. Epub 2021 Apr 17.

Department of Environmental Infrastructure Research, National Institute of Environmental Research, 42 Hwangyeong-ro, Seo-gu, Incheon, 22689, South Korea.

In this study, a pretreatment method based on the QuEChERS method has been applied for simultaneously extracting 27 residual pharmaceuticals from wastewater solids. The extracted compounds have been analyzed using online solid-phase extraction (SPE) coupled to liquid chromatography with tandem mass spectrometry (LC-MS/MS). A recovery test was conducted according to the absorbent type, and buffers were added in the sample extraction step. Read More

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Quantitative analysis of the relationship of derivatization reagents and detection sensitivity of electrospray ionization-triple quadrupole tandem mass spectrometry: Hydrazines as prototypes.

Anal Chim Acta 2021 May 13;1158:338402. Epub 2021 Mar 13.

Department of Chemistry, Frontier Science Center for Immunology and Metabolism, Wuhan University, Wuhan, 430072, PR China. Electronic address:

Chemical derivatization-assisted electrospray ionization-triple quadrupole mass spectrometry (ESI-QqQ-MS) has become an efficient tool for the quantification of low-molecular-weight molecules. Many studies found that the derivatives of the same analytes derivatized by different derivatization reagents with the same reaction group had different detection sensitivity, even under the same conditions of electrospray ionization-mass spectrometry (ESI-MS). This phenomenon was suggested to be caused by the different modifying groups in the derivatization reagents. Read More

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Granatripodins A-B, limonoids featuring a Tricyclo[3.3.1.0]nonane motif: Absolute configuration and agonistic effects on human pregnane-X-receptor.

Bioorg Chem 2021 Apr 5;111:104888. Epub 2021 Apr 5.

School of Pharmaceutical Sciences, Southern Medical University, 1838 Guangzhou Avenue North, Guangzhou 510515, PR China; Key Laboratory of Tropical Medicinal Resource Chemistry of Ministry of Education, College of Chemistry and Chemical Engineering, Hainan Normal University, Haikou 571158, PR China; Institute of Marine Biomedicine, Shenzhen Polytechnic, Shenzhen 518055, PR China. Electronic address:

Two unprecedented limonoids incorporating a sterically encumbered cyclopropane ring, named granatripodins A (1) and B (2), featuring the presence of a tricyclo[3.3.1. Read More

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Defining intermediates and redundancies in coenzyme Q precursor biosynthesis.

J Biol Chem 2021 Apr 14:100643. Epub 2021 Apr 14.

Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706, USA; Morgridge Institute for Research, Madison, WI 53715, USA; National Center for Quantitative Biology of Complex Systems, Madison, WI 53562, USA; Department of Cell Biology and Physiology, Washington University School of Medicine, St. Louis, Missouri 63110, USA; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri 63110, USA; Department of Genetics, Washington University School of Medicine, St. Louis, Missouri 63110, USA. Electronic address:

Coenzyme Q (CoQ), a redox-active lipid essential for oxidative phosphorylation, is synthesized by virtually all cells, but how eukaryotes make the universal CoQ head group precursor 4-hydroxybenzoate (4-HB) from tyrosine is unknown. The first and last steps of this pathway have been defined in Saccharomyces cerevisiae, but the intermediates and enzymes involved in converting 4-hydroxyphenylpyruvate (4-HPP) to 4-hydroxybenzaldehyde (4-HBz) have not been described. Here, we interrogate this pathway with genetic screens, targeted LC-MS, and chemical genetics. Read More

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Antibacterial and Antifungal Polyketides from the Fungus PSU-MF16.

J Nat Prod 2021 Apr 16. Epub 2021 Apr 16.

Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190, Thailand.

Seven new polyketides including a phenol (), two diphenyl ethers ( and ), two depsidones ( and ), and two phthalides ( and ) were isolated from the fungus PSU-MF16 along with 27 known compounds. Their structures were determined by extensive spectroscopic analysis. The absolute configurations of and - were established using comparative analyses of calculated and experimental ECD spectra. Read More

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Synthesis of new urease enzyme inhibitors as antiulcer drug and computational study.

J Biomol Struct Dyn 2021 Apr 16:1-16. Epub 2021 Apr 16.

H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan.

In search of potent urease inhibitor indole analogues () were synthesized and evaluated for their urease inhibitory potential. All analogues () showed a variable degree of inhibitory interaction potential having IC value ranging between 0.60 ± 0. Read More

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Differential Therapeutic Effects of FXR Activation, sEH Inhibition, and Dual FXR/sEH Modulation in NASH in Diet-Induced Obese Mice.

ACS Pharmacol Transl Sci 2021 Apr 29;4(2):966-979. Epub 2021 Mar 29.

Goethe University Frankfurt, Institute of Pharmaceutical Chemistry, Max-von-Laue-Strasse 9, 60438 Frankfurt, Germany.

Nonalcoholic fatty liver disease (NAFLD) is an epidemic chronic liver disease and may progress over nonalcoholic steatohepatitis (NASH) to liver cirrhosis and hepatocellular carcinoma. The multiple metabolic, environmental, and genetic factors that are involved in NAFLD/NASH pathogenesis and progression suggest a need for multimechanistic interventions. We have developed and preliminarily characterized a concept of dual farnesoid X receptor (FXR) and soluble epoxide hydrolase (sEH) modulation as a promising polypharmacological strategy to counteract NASH. Read More

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Establishment of a Cell Culture Model Permissive for Infection by Hepatitis B and C Viruses.

Hepatol Commun 2021 Apr 19;5(4):634-649. Epub 2020 Dec 19.

Department of Microbiology Graduate School of Medical Science University of Yamanashi Yamanashi Japan.

Compared with each monoinfection, coinfection with hepatitis B virus (HBV) and hepatitis C virus (HCV) is well known to increase the risks of developing liver cirrhosis and hepatocellular carcinoma. However, the mechanism by which HBV/HCV coinfection is established in hepatocytes is not well understood. Common cell culture models for coinfection are required to examine viral propagation. Read More

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Coenzyme Q Biosynthesis Established in the Non-Ubiquinone Containing by Metabolic Engineering.

Front Bioeng Biotechnol 2021 30;9:650961. Epub 2021 Mar 30.

Genetics of Prokaryotes, Faculty of Biology and Center for Biotechnology (CeBiTec), Bielefeld University, Bielefeld, Germany.

Coenzyme Q (CoQ10) serves as an electron carrier in aerobic respiration and has become an interesting target for biotechnological production due to its antioxidative effect and benefits in supplementation to patients with various diseases. For the microbial production, so far only bacteria have been used that naturally synthesize CoQ10 or a related CoQ species. Since the whole pathway involves many enzymatic steps and has not been fully elucidated yet, the set of genes required for transfer of CoQ10 synthesis to a bacterium not naturally synthesizing CoQ species remained unknown. Read More

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Airway Epithelial Inflammation Augments the Rescue of Mutant CFTR by Current CFTR Modulator Therapies.

Front Pharmacol 2021 30;12:628722. Epub 2021 Mar 30.

Marsico Lung Institute and Cystic Fibrosis Research Center, School of Medicine, University of North Carolina, Chapel Hill, NC, United States.

In cystic fibrosis (CF), defective biogenesis and activity of the cystic fibrosis transmembrane conductance regulator (CFTR) leads to airway dehydration and impaired mucociliary clearance, resulting in chronic airway infection and inflammation. The most common CFTR mutation, F508del, results in a processing defect in which the protein is retained in the endoplasmic reticulum and does not reach the apical surface. CFTR corrector compounds address this processing defect to promote mutant CFTR transfer to the apical membrane. Read More

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Revealing Insights into Natural Products Against mcr-1-Producing Bacteria.

Curr Drug Targets 2021 Apr 14. Epub 2021 Apr 14.

Institute of Chemistry and Biotechnology, Federal University of Alagoas, AC. Simões campus, Lourival Melo Mota Avenue, 57072-970. Brazil.

Bacterial resistance has become a major global concern, affecting about 500,000 individuals in 22 countries. Thus, it is clear that Gram-negative bacteria have been receiving more attention in this scenario. These bacteria perform several resistance mechanisms, such as modifying lipid A from lipopolysaccharides as a product of the mcr-1 gene expression. Read More

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Nitric oxide production inhibitory activity of clerodane diterpenes from .

Nat Prod Res 2021 Apr 15:1-5. Epub 2021 Apr 15.

Center of Chemical Innovation for Sustainability (CIS) and School of Science, Mae Fah Luang University, Chiang Rai, Thailand.

A new clerodane diterpene, 2-methoxyhardwickiic acid (), and four known compounds () were isolated from the twigs of The structure of the new compound was determined by extensive spectroscopic methods and ESITOFMS data. The absolute configuration of was established by a comparison of its ECD spectrum and specific rotation with those of related previously reported compounds. All compounds were evaluated for their nitric oxide (NO) production inhibitory activities in RAW264. Read More

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Assessing the aquatic toxicity and environmental safety of tracer compounds Rhodamine B and Rhodamine WT.

Water Res 2021 Apr 5;197:117109. Epub 2021 Apr 5.

Department of Environmental Engineering, Technical University of Denmark, Bygningstorvet, Building 115, DK-2800 Kgs. Lyngby, Denmark.

Tracer tests represent a well-established method for delineating key environmental processes in various media and engineered systems. Tracers like Rhodamine B and WT are frequently applied due to their strong fluorescence even at low concentrations.. Read More

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Bioactivity-guided discovery of quality control markers in rhizomes of Curcuma wenyujin based on spectrum-effect relationship against human lung cancer cells.

Phytomedicine 2021 Mar 27;86:153559. Epub 2021 Mar 27.

Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China; College of Pharmacy, School of Medicine, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China; Key Laboratory of Elemene Class Anti-Cancer Chinese Medicines; Engineering Laboratory of Development and Application of Traditional Chinese Medicines; Collaborative Innovation Center of Traditional Chinese Medicines of Zhejiang Province, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China. Electronic address:

Background: Due to the diversity of the ingredients, the complexity of the mechanism of action, the uncertainty of the effective ingredients, coupled with the multiple species and multiple growing areas, the quality control (QC) of Traditional Chinese Medicines (TCMs) is challenging. Discovering and identifying effective compounds from the complex extracts of TCMs and then establishing a scientific QC method is the key to the holistic QC of TCMs.

Purpose: To develop an anti-lung-cancer-guided spectrum-effect relationship approach for the discovery of QC markers of the rhizome of Curcuma wenyujin (WEZ) and establish a bioactive compounds-based holistic QC method. Read More

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ERα-agonist and ERβ-antagonist bifunctional next-generation bisphenols with no halogens: BPAP, BPB, and BPZ.

Toxicol Lett 2021 Apr 12. Epub 2021 Apr 12.

Department of Chemistry, Faculty of Science, Kyushu University, Motooka 744, Nishi-ku, Fukuoka, 819-0395, Japan; Risk Science Research Institute, Ikimatsudai 3-7-5, Nishi-ku, Fukuoka, 819-0044, Japan. Electronic address:

As demonstrated for bisphenol AF (BPAF), the electrostatic halogen bond based on the London dispersion force of halogen atoms was found to be a major driving force of their bifunctional ERα-agonist and ERβ-antagonist activities. Because similar electronic effects are anticipated for hydrocarbon groups (alkyl or aryl groups), we hypothesized that bisphenol compounds consisting of such groups also work bifunctionally. In the present study, we examined bisphenol AP (BPAP), B (BPB), and Z (BPZ). Read More

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Purification of linarin and hesperidin from Mentha haplocalyx by aqueous two-phase flotation coupled with preparative HPLC and evaluation of the neuroprotective effect of linarin.

J Sep Sci 2021 Apr 15. Epub 2021 Apr 15.

State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing, 100029, China.

The volatile oil of Mentha haplocalyx is widely used in medicine, food and cosmetics. However, a large amount of its residue after steam extraction of volatile oil is abandoned, resulting in a waste of resources. The method of aqueous two-phase flotation coupled with preparative HPLC was established for the separation and purification of non-volatile active compounds from Mentha haplocalyx for the first time. Read More

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Rediscovering Sulfinylamines as Reagents for Organic Synthesis.

Chemistry 2021 Apr 15. Epub 2021 Apr 15.

University of Oxford, Organic Chemistry, Chemistry Research Laboratory, Mansfield Road, OX1 3TA, Oxford, UNITED KINGDOM.

Sulfinylamines (R-N=S=O), monoaza analogues of sulfur dioxide, have been known for well over a century, and their reactivity as sulfur electrophiles and in Diels-Alder reactions is well-established. However, they have only rarely been used in organic synthesis in recent decades despite the increasing prominence of compounds containing N=S=O functionality, such as sulfoximines and sulfonimidamides. This Minireview aims to bring wider visibility to the unique chemistry enabled by this class of compounds. Read More

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Characterization of Biomolecules with Antibiotic Activity from Endophytic Fungi Phomopsis Species.

Acta Chim Slov 2020 Jun;67(2):445-461

Recently, growing interest is devoted to investigation of bioactive secondary metabolites of endophytic fungi. Thus, as an extension to our previous achievements related to antimicrobial potential of endophytic fungi, Phomopsis species isolated from conifer needles was selected as appropriately promising natural source for drug discovery. Its dichloromethane and ethanol extracts considerably inhibited growth of Escherichia coli and Staphylococcus aureus. Read More

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Assessment of Antiviral Effect of Natural Compounds on Porcine Epidemic Diarrhea Coronavirus.

Front Vet Sci 2021 29;8:652000. Epub 2021 Mar 29.

Department of Animal Health, Faculty of Veterinary Medicine, Universidad de León, León, Spain.

Organic acid and essential oils (EOs), well-known antimicrobials, could also possess antiviral activity, a characteristic which has not been completely addressed up to now. In this study, the effect of two organic acids (formic acid and sodium salt of coconut fatty acid distillates) and two single EO compounds (thymol and cinnamaldehye) was evaluated against porcine epidemic diarrhea virus (PEDV). The concentration used for each compound was established by cytotoxicity assays in Vero cells. Read More

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Purity determination of cyclophosphamide hydrate by quantitative P-NMR and method validation.

Chem Pharm Bull (Tokyo) 2021 Apr 15. Epub 2021 Apr 15.

National Institute of Health Sciences (NIHS).

Recently, quantitative NMR (qNMR), especially H-qNMR, has been widely used to determine the absolute quantitative value of organic molecules. We previously reported an optimal and reproducible sample preparation method for H-qNMR. In the present study, we focused on a P-qNMR absolute determination method. Read More

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An Immuno-Cardiac Model for Macrophage-Mediated Inflammation in COVID-19 Hearts.

Circ Res 2021 Apr 15. Epub 2021 Apr 15.

Surgery, Cornell University Medical Center, UNITED STATES.

While respiratory failure is a frequent and clinically significant outcome of COVID-19, cardiac complications are a common feature in hospitalized COVID-19 patients and are associated with worse patient outcomes. The cause of cardiac injury in COVID-19 patients is not yet known. Case reports of COVID-19 autopsy heart samples have demonstrated abnormal inflammatory infiltration of macrophages in heart tissues. Read More

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Exposure to xenoestrogens alters the expression of key morphoregulatory proteins of oviduct adenogenesis in the broad-snouted caiman (Caiman latirostris).

Aquat Toxicol 2021 Mar 26;235:105817. Epub 2021 Mar 26.

Instituto de Salud y Ambiente del Litoral (ISAL), Universidad Nacional del Litoral - Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria s/n, 4to piso, CP3000 Santa Fe, Argentina; Cátedra de Patología Humana, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, Ciudad Universitaria s/n, 4to piso, CP3000 Santa Fe, Argentina. Electronic address:

Endocrine disrupting compounds (EDCs) are contaminants ubiquitously found in the environment, which pose a potential threat to aquatic and wetland ecosystems. Caiman latirostris, a crocodilian species that inhabits South American wetlands, is highly sensitive to EDC exposure. Previously, we reported that early postnatal exposure to EDCs such as Bisphenol A (BPA) and 17β-Estradiol (E) alters C. Read More

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Prostaglandin production by the microalga with heterologous expression of cyclooxygenase.

Biotechnol Bioeng 2021 Apr 14. Epub 2021 Apr 14.

Division of Biotechnology and Life Science, Institute of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Naka-cho, Koganei, Tokyo, 184-8588, Japan.

Prostaglandins (PGs) are the physiologically active compounds synthesized from C20 polyunsaturated fatty acids (PUFAs) by cyclooxygenase (COX) and a series of PG synthases, and are utilized as pharmaceuticals. Currently commercialized PGs are mainly produced by chemical synthesis under harsh conditions. By contrast, bioproduction of PGs can be an alternative, environmental-friendly, and inexpensive process with genetic engineering of model plants, although these conventional host organisms contain the limited quantity of PG precursors. Read More

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Discovery of novel potential KIT inhibitors for the treatment of gastrointestinal stromal tumor.

Open Life Sci 2021 3;16(1):303-310. Epub 2021 Apr 3.

School of Life and Pharmaceutical Sciences, Dalian University of Technology, 2 Dagong Road, Liaodongwan New District, Panjin 124221, Liaoning, China.

Numerous inhibitors of tyrosine-protein kinase KIT, a receptor tyrosine kinase, have been explored as a viable therapy for the treatment of gastrointestinal stromal tumor (GIST). However, drug resistance due to acquired mutations in KIT makes these drugs almost useless. The present study was designed to screen the novel inhibitors against the activity of the KIT mutants through pharmacophore modeling and molecular docking. Read More

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