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Green surfactant-dendrimer aggreplexes: An ingenious way to launch dual attack on arch-enemy cancer.

Colloids Surf B Biointerfaces 2021 May 5;204:111821. Epub 2021 May 5.

Centre for Pharmaceutical Nanotechnology, Department of Pharmaceutics, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S.A.S. Nagar, Mohali, 160062, Punjab, India. Electronic address:

Combination therapy, which combines anti-cancer drugs with different oligonucleotides, have shown potential in cancer treatment. However, delivering a hydrophobic anti-cancer drug and a hydrophilic oligonucleotide simultaneously is a herculean task. This study takes advantage of interactions between histidine-lauric acid-based green surfactant and poly(amidoamine) dendrimers to achieve this aim. Read More

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A study on MAPK/ERK and CDK2-Cyclin-E signal switch "on and off" in cell proliferation by bis urea derivatives of 1, 4-Diisocyanatobenzene.

Bioorg Chem 2021 Apr 23;112:104940. Epub 2021 Apr 23.

Department of Chemistry, Sri Venkateswara Arts College (TTD's), Sri Venkateswara University, Tirupati, Andhra Pradesh, India. Electronic address:

A series of novel substituted bisurea 1,4-Diisocyanatobenzene compounds were designed, synthesized and introduced as potent anticancer compounds and screened for their in vitro anti-proliferative activities in human cancer cell lines. The structures of all titled compounds were characterized using Fourier-transform infrared mass spectra, nuclear magnetic resonance spectroscopy, elemental analysis and evaluated their sustainability using biological experiments. A selected group of ten derivatives were apprised for their anti-proliferative activity. Read More

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Synthesis and anti-proliferation activity of mogrol derivatives bearing quinoline and triazole moieties.

Bioorg Med Chem Lett 2021 May 5:128090. Epub 2021 May 5.

Guangxi Key Laboratory of Functional Phytochemicals Research and Utilization, Guangxi Institute of Botany, Chinese Academy of Sciences, Guilin 541006, China. Electronic address:

A series of novel derivatives based on mogrol were designed and synthesized in attempt to improve anti-lung cancer activity. The cytotoxicity against human lung cancer cells including A549 and NCI-H460 were performed by Cell Counting Kit-8 (CCK8) assay in vitro. The screening result showed that compound 8f exhibited the strongest activity with an IC value of 4. Read More

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1,2,4-Triazolo[1,5-a]pyrimidines: Efficient one-step synthesis and functionalization as influenza polymerase PA-PB1 interaction disruptors.

Eur J Med Chem 2021 Apr 26;221:113494. Epub 2021 Apr 26.

Department of Pharmaceutical Sciences, University of Perugia, Via Del Liceo 1, 06123, Perugia, Italy. Electronic address:

In the search for new anti-influenza virus (IV) compounds, we have identified the 1,2,4-triazolo[1,5-a]pyrimidine (TZP) as a very suitable scaffold to obtain compounds able to disrupt IV RNA-dependent RNA polymerase (RdRP) PA-PB1 subunits heterodimerization. In this work, in order to acquire further SAR insights for this class of compounds and identify more potent derivatives, we designed and synthesized additional series of analogues to investigate the role of the substituents around the TZP core. To this aim, we developed four facile and efficient one-step procedures for the synthesis of 5-phenyl-, 6-phenyl- and 7-phenyl-2-amino-[1,2,4]triazolo[1,5-a]pyrimidines, and 2-amino-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol. Read More

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Cytotoxic tigliane diterpenoids from .

Nat Prod Res 2021 May 7:1-5. Epub 2021 May 7.

School of Pharmacy, Nantong University, Nantong, People's Republic of China.

Two new tigliane diterpenes, named eupneonoids A () and B (), together with four known analogues () were isolated from the whole plant of Bruyns. Their structures were deduced based on the detailed spectroscopic analysis. All the isolates displayed cytotoxic effects against A549 human tumor cell lines with IC values ranging from 1. Read More

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Design, synthesis, and biological evaluation of novel dual inhibitors targeting lysine specific demethylase 1 (LSD1) and histone deacetylases (HDAC) for treatment of gastric cancer.

Eur J Med Chem 2021 Apr 25;220:113453. Epub 2021 Apr 25.

School of Pharmacy, Xinxiang Medical University, Xinxiang, Henan, 453003, China. Electronic address:

LSD1 and HDAC are physical and functional related to each other in various human cancers and simultaneous pharmacological inhibition of LSD1 and HDAC exerts synergistic anti-cancer effects. In this work, a series of novel LSD1/HDAC bifunctional inhibitors with a styrylpyridine skeleton were designed and synthesized based on our previously reported LSD1 inhibitors. The representative compounds 5d and 5m showed potent activity against LSD1 and HDAC at both molecular and cellular level and displayed high selectivity against MAO-A/B. Read More

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Synthesis and Biological Activity of Triterpene-Coumarin Conjugates.

J Nat Prod 2021 May 6. Epub 2021 May 6.

Departamento de Química Orgánica, Universidad de Granada, E-18071 Granada, Spain.

A set of 12 maslinic acid-coumarin conjugates was synthesized, with 9 being maslinic acid-diamine-coumarin conjugates at the C-28 carboxylic acid group of triterpene acid and the other three being maslinic acid-coumarin conjugates at C-2/C-3 and/or C-28 of the triterpene skeleton. The cytotoxic effects of these 12 triterpene conjugates were evaluated in three cancer cell lines (B16-F10, HT29, and Hep G2) and compared, respectively, with three nontumor cell lines from the same or similar tissue (HPF, IEC-18, and WRL68). The most potent cytotoxic results were achieved by a conjugate with two molecules of coumarin-3-carboxylic acid coupled through the C-2 and C-3 hydroxy groups of maslinic acid. Read More

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Novel Umami Peptide IPIPATKT with Dual Dipeptidyl Peptidase-IV and Angiotensin I-Converting Enzyme Inhibitory Activities.

J Agric Food Chem 2021 May 5. Epub 2021 May 5.

State Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-Products, College of Food and Pharmaceutical Sciences, Ningbo University, Ningbo 315211, Zhejiang, China.

A novel umami peptide, IPIPATKT, showed excellent dual dipeptidyl peptidase-IV (DPP-IV) and angiotensin I-converting enzyme (ACE) inhibitory activities, the IC values were 64 and 265 μM, respectively. Molecular docking displayed that IPIPATKT was docked into the S1 and S2 pockets of ACE, and it was close to the active site pocket of DPP-IV. The insulin-resistant-HepG2 (IR-HepG2) cell model and human umbilical vein endothelial cell (HUVEC) model showed that the peptide significantly increased the content of glucose, the activities of hexokinase, pyruvate kinase, and the concentration of nitric oxide ( < 0. Read More

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Prenylated coumarins from the fruits of with their potential anti-inflammatory and anti-HIV activities.

Nat Prod Res 2021 May 5:1-8. Epub 2021 May 5.

State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing, P. R. China.

A phytochemical investigation on the fruits of led to the isolation and characterisation of a new prenylated coumarin, artoheteronin (), together with six known analogues (-). The chemical structure of was elucidated using extensive spectral methods and the known compounds (-) were identified by comparing their spectral data with those reported in the literature. All known compounds (-) were isolated from the genus for the first time. Read More

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Pyridine-derived VEGFR-2 inhibitors: Rational design, synthesis, anticancer evaluations, in silico ADMET profile, and molecular docking.

Arch Pharm (Weinheim) 2021 May 5:e2100085. Epub 2021 May 5.

Department of Pharmaceutical Medicinal Chemistry and Drug Design, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt.

Novel pyridine-derived compounds (5-19) were designed and synthesized, and their anticancer activities were evaluated against HepG2 and MCF-7 cells, targeting the VEGFR-2 enzyme. Compounds 10, 9, 8, and 15 were found to be the most potent derivatives against the two cancer cell lines, HepG2 and MCF-7, respectively, with IC  = 4.25 and 6. Read More

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Design, synthesis and biological evaluation of novel benzofuran derivatives as potent LSD1 inhibitors.

Eur J Med Chem 2021 Apr 24;220:113501. Epub 2021 Apr 24.

Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, Liaoning, China.

Lysine-specific demethylase 1 (LSD1) is a FAD-dependent enzyme, which has been proposed as a promising target for therapeutic cancer. Herein, a series of benzofuran derivatives were designed, synthesized and biochemical evaluated as novel LSD1 inhibitors based on scaffold hopping and conformational restriction strategy. Most of the compounds potently suppressed the enzymatic activities of LSD1 and potently inhibited tumor cells proliferation. Read More

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Design, synthesis, and anticancer evaluation of novel andrographolide derivatives bearing an α,β-unsaturated ketone moiety.

Bioorg Chem 2021 Apr 24;112:104941. Epub 2021 Apr 24.

Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 211198, China. Electronic address:

A series of 1,2-didehydro-3-ox-andrographolide derivatives based on two Michael acceptors were designed, synthesized and evaluated for their anticancer activity against two human cancer cell lines (HCT116 and MCF-7). All tested compounds exhibited significant growth inhibitory effect on HCT116 and moderate to good inhibitory effect on MCF-7 cell proliferation. Compound 10b displayed the best inhibitory activities against both HCT116 and MCF-7 cell lines, with IC values of 2. Read More

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Bioactive sesterterpenoids from the fungus Penicillium roqueforti YJ-14.

Phytochemistry 2021 Apr 30;187:112762. Epub 2021 Apr 30.

Functional Molecules Analysis and Biotransformation Key Laboratory of Universities in Yunnan Province, Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming, 650091, People's Republic of China. Electronic address:

Seven previously undescribed sesterterpenes were characterized from Penicillium roqueforti YJ-14 by solid fermentation. Their structures were initially investigated in detail by spectroscopic analyses and HR-ESI-MS and were further confirmed by X-crystallography. In in vitro bioassays, compounds 1, 5 and 7 showed cytotoxic activity against the MCF-7 breast cancer cell line with IC values of 7. Read More

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A new synthetic antitumor naphthoquinone induces ROS-mediated apoptosis with activation of the JNK and p38 signaling pathways.

Chem Biol Interact 2021 Apr 30;343:109444. Epub 2021 Apr 30.

Laboratory of Biological Activity, Faculty of Pharmaceutical Sciences, Federal University of Amazonas - UFAM, Manaus, Amazonas, 69077-000, Brazil. Electronic address:

Quinones are plant-derived secondary metabolites that present diverse pharmacological properties, including antibacterial, antifungal, antiviral, anti-inflammatory, antipyretic and anticancer activities. In the present study, we evaluated the cytotoxic effect of a new naphthoquinone 6b,7-dihydro-5H-cyclopenta [b]naphtho [2,1-d]furan-5,6 (9aH)-dione) (CNFD) in different tumor cell lines. CNFD displayed cytotoxic activity against different tumor cell lines, especially in MCF-7 human breast adenocarcinoma cells, which showed IC values of 3. Read More

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Annona muricata silver nanoparticles exhibit strong anticancer activities against cervical and prostate adenocarcinomas through regulation of CASP9 and the CXCL1/CXCR2 genes axis.

Tumour Biol 2021 ;43(1):37-55

Department of Molecular Biology and Biotechnology, Pan African University Institute for Basic Sciences, Technology and Innovation, Nairobi, Kenya.

Background: Green synthesized nanoparticles have been earmarked for use in nanomedicine including for the development of better anticancer drugs.

Objective: The aim of this study was to undertake biochemical evaluation of anticancer activities of green synthesized silver nanoparticles (AgNPs) from ethanolic extracts of fruits (AgNPs-F) and leaves (AgNPs-L) of Annona muricata.

Methods: Previously synthesized silver nanoparticles were used for the study. Read More

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January 2021

Design, synthesis and biological evaluation of novel imidazole-chalcone derivatives as potential anticancer agents and tubulin polymerization inhibitors.

Bioorg Chem 2021 Apr 20;112:104904. Epub 2021 Apr 20.

Biotechnology Research Center, Mashhad University of Medical Sciences, Mashhad, Iran; Department of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran.

Novel imidazole-chalcone derivatives were designed and synthesized as tubulin polymerization inhibitors and anticancer agents. The antiproliferative activity of the imidazole-chalcone was assessed on some human cancer cell lines including A549 (adenocarcinoma human alveolar basal epithelial cells), MCF-7 (human breast cancer cells), MCF-7/MX (mitoxantrone resistant human breast cancer cells), and HEPG2 (human hepatocellular carcinoma cells). Generally, the imidazole-chalcone derivatives exhibited more cytotoxicity on A549 cancer cells in comparison to the other three cell lines, among them compounds 9j' and 9g showed significant cytotoxicity with IC values ranging from 7. Read More

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Design and biological evaluation of cinnamic and phenylpropionic amide derivatives as novel dual inhibitors of HIV-1 protease and reverse transcriptase.

Eur J Med Chem 2021 Apr 24;220:113498. Epub 2021 Apr 24.

Institute of Medicinal Biotechnology, Chinese Academy of Medical Science and Peking Union Medical College, Beijing, 100050, China. Electronic address:

Upon the basis of both possible ligand-binding site interactions and the uniformity of key residues in active sites, a novel class of HIV-1 PR/RT dual inhibitors was designed and evaluated. Cinnamic acids or phenylpropionic acids with more flexible chain and smaller steric hindrance were introduced into the inhibitors, giving rise to significant improvement in HIV-1 RT inhibitory activity by one or two orders of magnitude, with comparable or even improved potency against PR at the same time, compared with coumarin anologues in our previous studies. Among these inhibitors, 38d displayed a 19-fold improvement in anti-PR activity with IC value of 0. Read More

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Design, synthesis and biological evaluation of novel estrone phosphonates as high affinity organic anion-transporting polypeptide 2B1 (OATP2B1) inhibitors.

Bioorg Chem 2021 Apr 20;112:104914. Epub 2021 Apr 20.

Department of Organic Chemistry, University of Szeged, Dóm tér 8, H-6720 Szeged, Hungary. Electronic address:

Organic anion-transporting polypeptide 2B1 (OATP2B1) is a multispecific membrane transporter mediating the cellular uptake of various exo- and endobiotics, including drugs and steroid hormones. Increased uptake of steroid hormones by OATP2B1 may increase tumor proliferation. Therefore, understanding OATP2B1's substrate/inhibitor recognition and inhibition of its function, e. Read More

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Discovery and characterization of flavonoids in vine tea as catechol-O-methyltransferase inhibitors.

Fitoterapia 2021 Apr 28;152:104913. Epub 2021 Apr 28.

School of Rehabilitation Science, Shanghai University of Traditional Chinese Medicine, Shanghai, 201203, China.

Vine tea has been used as a traditionally functional herbal tea in China for centuries, which exhibits paramount potential for chronic metabolic diseases. Herein, the inhibitory potential of vine tea toward human catechol-O-methyltransferase (hCOMT) was investigated. A practical bioactivity-guided fractionation combined with chemical profiling strategy was developed to identify the naturally occurring hCOMT inhibitors. Read More

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Fusaroxazin, a novel cytotoxic and antimicrobial xanthone derivative from .

Nat Prod Res 2020 Dec 1:1-9. Epub 2020 Dec 1.

Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.

Oxazines and their derivatives are an uncommon natural heterocyclic compounds, which contain oxygen and nitrogen atoms and possess various bioactivities. A novel 1,4-oxazine-xanthone derivative, fusarioxazin () and three known sterols () were separated from EtOAc extract associated with L. (broad bean, Fabaceae) roots. Read More

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December 2020

Design, synthesis of novel celastrol derivatives and study on their antitumor growth through HIF-1α pathway.

Eur J Med Chem 2021 Apr 21;220:113474. Epub 2021 Apr 21.

Key Laboratory of Natural Medicines of the Changbai Mountain, Ministry of Education, College of Pharmacy, Yanbian University, Yanji, 133002, China. Electronic address:

Four series of hypoxia-inducible factor-1 alpha (HIF-1α) functioning derivatives stemming from modifications to the C-29 carboxyl group of celastrol were designed and synthesized, and their anticancer activities were evaluated. To address the structure and activity relationship of each derivative, extensive structural changes were made. HRE luciferase reporter assay demonstrated that 12 modified compounds showed superior HIF-1α inhibitory activity. Read More

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Bioactive sulfonyl metabolites from the Red Sea endophytic fungus .

Nat Prod Res 2021 Apr 30:1-9. Epub 2021 Apr 30.

Chemistry Department, Science & Arts College, Rabigh Campus, King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.

Two new sulfonyl metabolites, pensulfonoxy () and pensulfonamide (), together with four known metabolites were obtained from the fermentation extract of , an endophytic fungus isolated from the marine red alga . The structures of the compounds were established on the basis of extensive NMR and MS spectroscopic analysis. The ethyl acetate extract exhibited potent antibacterial inhibitory activity against , while compound exhibited antifungal activity against with inhibition diameters of 20. Read More

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Synthesis and Antiviral Activity of Camphene Derivatives against Different Types of Viruses.

Molecules 2021 Apr 13;26(8). Epub 2021 Apr 13.

N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrent'ev av., 9, 630090 Novosibirsk, Russia.

To date, the 'one bug-one drug' approach to antiviral drug development cannot effectively respond to the constant threat posed by an increasing diversity of viruses causing outbreaks of viral infections that turn out to be pathogenic for humans. Evidently, there is an urgent need for new strategies to develop efficient antiviral agents with broad-spectrum activities. In this paper, we identified camphene derivatives that showed broad antiviral activities in vitro against a panel of enveloped pathogenic viruses, including influenza virus A/PR/8/34 (H1N1), Ebola virus (EBOV), and the Hantaan virus. Read More

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Methoxy-Substituted Tyramine Derivatives Synthesis, Computational Studies and Tyrosinase Inhibitory Kinetics.

Molecules 2021 Apr 23;26(9). Epub 2021 Apr 23.

Department of Pharmaceutical Sciences, Faculty of Pharmacy, Chiang Mai University, Chiang Mai 50200, Thailand.

Targeting tyrosinase for melanogenesis disorders is an established strategy. Hydroxyl-substituted benzoic and cinnamic acid scaffolds were incorporated into new chemotypes that displayed in vitro inhibitory effects against mushroom and human tyrosinase for the purpose of identifying anti-melanogenic ingredients. The most active compound 2-((4-methoxyphenethyl)amino)-2-oxoethyl ()-3-(2,4-dihydroxyphenyl) acrylate (Ph9), inhibited mushroom tyrosinase with an IC of 0. Read More

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Design, Synthesis, and Antibacterial Screening of Some Novel Heteroaryl-Based Ciprofloxacin Derivatives as DNA Gyrase and Topoisomerase IV Inhibitors.

Pharmaceuticals (Basel) 2021 Apr 22;14(5). Epub 2021 Apr 22.

Department of Chemistry, Faculty of Science, Sohag University, Sohag 82524, Egypt.

A novel series of ciprofloxacin hybrids comprising various heterocycle derivatives has been synthesized and structurally elucidated using H NMR, C NMR, and elementary analyses. Using ciprofloxacin as a reference, compounds were screened in vitro against Gram-positive bacterial strains such as and and Gram-negative strains such as and . As a result, many of the compounds examined had antibacterial activity equivalent to ciprofloxacin against test bacteria. Read More

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Magnificines A and B, Antimicrobial Marine Alkaloids Featuring a Tetrahydrooxazolo[3,2-a]azepine-2,5()-dione Backbone from the Red Sea Sponge .

Mar Drugs 2021 Apr 12;19(4). Epub 2021 Apr 12.

Natural Products Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia.

Investigation of the Red Sea sponge gave two novel alkaloids, magnificines A and B ( and ) and a new β-ionone derivative, (±)-negombaionone (), together with the known latrunculin B () and 16--latrunculin B (). The analysis of the NMR and HRESIMS spectra supported the planar structures and the relative configurations of the compounds. The absolute configurations of magnificines A and B were determined by the analysis of the predicted and experimental ECD spectra. Read More

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Screening of Benzimidazole-Based Anthelmintics and Their Enantiomers as Repurposed Drug Candidates in Cancer Therapy.

Pharmaceuticals (Basel) 2021 Apr 17;14(4). Epub 2021 Apr 17.

Department of Pharmacy, G. d'Annunzio University of Chieti-Pescara, 66100 Chieti, Italy.

Repurposing of approved non-antitumor drugs represents a promising and affordable strategy that may help to increase the repertoire of effective anticancer drugs. Benzimidazole-based anthelmintics are antiparasitic drugs commonly employed both in human and veterinary medicine. Benzimidazole compounds are being considered for drug repurposing due to antitumor activities displayed by some members of the family. Read More

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Synthesis of New Triazolopyrazine Antimalarial Compounds.

Molecules 2021 Apr 21;26(9). Epub 2021 Apr 21.

Griffith Institute for Drug Discovery, School of Environment and Science, Griffith University, Brisbane, QLD 4111, Australia.

A radical approach to late-stage functionalization using photoredox and Diversinate chemistry on the Open Source Malaria (OSM) triazolopyrazine scaffold (Series 4) resulted in the synthesis of 12 new analogues, which were characterized by NMR, UV, and MS data analysis. The structures of four triazolopyrazines were confirmed by X-ray crystal structure analysis. Several minor and unexpected side products were generated during these studies, including two resulting from a possible disproportionation reaction. Read More

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In Silico and In Vitro Evaluation of the Antimicrobial and Antioxidant Potential of × R. GRAHAM Essential Oil from Western Romania.

Foods 2021 Apr 9;10(4). Epub 2021 Apr 9.

Faculty of Medicine, "Victor Babes" University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, RO-300041 Timisoara, Romania.

This study was conducted to identify the volatile compounds of × essential oil (MSEO) and evaluate its antioxidant and antibacterial potential. The essential oil (EO) content was assessed by gas chromatography-mass spectrometry (GC-MS). Carvone (55. Read More

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Protease Inhibitors Purified from the Canola Meal Extracts of Two Genetically Diverse Genotypes Exhibit Antidiabetic and Antihypertension Properties.

Molecules 2021 Apr 4;26(7). Epub 2021 Apr 4.

Graham Centre (an Alliance between Charles Sturt University and the NSW Department of Primary Industries), Boorooma Street, Wagga Wagga, NSW 2678, Australia.

Valorization of vegetable oil waste residues is gaining importance due to their high protein and polyphenol contents. Protease inhibitors (PIs), proteins from these abundantly available waste residues, have recently gained importance in treating chronic diseases. This research aimed to use canola meal of genetically diverse genotypes, BLN-3347 and Rivette, to identify PIs with diverse functionalities in therapeutic and pharmacological applications. Read More

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