679 results match your criteria selectivity 121


Genome-wide identification and expression analysis of MYB gene family under nitrogen stress in Panax notoginseng.

Protoplasma 2022 May 7. Epub 2022 May 7.

Key Laboratory of Plant Secondary Metabolism and Regulation of Zhejiang Province, College of Life Sciences and Medicine, Zhejiang Sci-Tech University, Hangzhou, 310018, China.

The myeloblastosis (MYB) gene family, involved in regulating many important physiological and biochemical processes, is one of the largest transcript factor superfamilies in plants. Since the identification of genome sequencing of Panax notoginseng has been completed, there was little known about the whole genome of its specific MYB gene family and the response to abiotic stresses, in consideration of the excessive application of nitrogen fertilizers in P. notoginseng. Read More

View Article and Full-Text PDF

HPLC-FLD-Based Method for the Detection of Sulfonamides in Organic Fertilizers Collected from Poland.

Molecules 2022 Mar 21;27(6). Epub 2022 Mar 21.

Department of Hygiene of Animal Feedingstuffs, National Veterinary Research Institute, Partyzantów 57 Avenue, 24-100 Pulawy, Poland.

Antibacterial substances such as sulfonamides are widely used in veterinary medicine to treat many bacterial diseases. After their administration to animals, up to 90% of the initial dose of the antibiotic is excreted in the feces and/or urine, which can be applied to farmland as natural or organic fertilizers. In this work, an analytical method was developed with the use of HPLC-FLD for the detection and quantification of five sulfonamides (sulfaguanidine, sulfadiazine, sulfamerazine, sulamethazine and sulfamethoxazol) in poultry and pig feces, slurry and digestates. Read More

View Article and Full-Text PDF

Design, synthesis and evaluation of novel thienopyridazine derivatives as Chk1/2 inhibitors.

Bioorg Chem 2022 04 25;121:105704. Epub 2022 Feb 25.

Key Laboratory for Green Pharmaceutical Technologies and Related Equipment of Ministry of Education, College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou 310014, China. Electronic address:

In order to search for novel checkpoint kinase 1/2 (Chk1) inhibitors, we have designed and synthesized a series of new compounds incorporating thienopyridazine core. Bioevaluation showed that compounds 10j, 10i, 13e and 10o exhibited relatively good inhibitory activity. Notably, compound 10o displayed high selectivity against a panel of kinases and inhibited Chk1/2 signaling pathway stimulated by DNA damage drugs in cellular level. Read More

View Article and Full-Text PDF

Revealing 2-dimethylhydrazino-2-alkyl alkynyl sphingosine derivatives as sphingosine kinase 2 inhibitors: Some hints on the structural basis for selective inhibition.

Bioorg Chem 2022 04 12;121:105668. Epub 2022 Feb 12.

Departament de Química Analítica i Química Orgànica, Universitat Rovira i Virgili, C/Marcelino Marcel·lí 1, 43007 Tarragona, Spain. Electronic address:

Sphingosine kinase (SphK), which catalyzes the transfer of phosphate from ATP to sphingosine (Sph) generating sphingosine-1-phosphate (S1P) has emerged as therapeutic target since the discovery of connections of S1P with cancer progress. So far, most effort has focused on the development of inhibitors of SphK1, and selective inhibitors of SphK2 have been much less explored. Here, we describe the syntheses of new sphingosine derivatives bearing a tetrasubstituted carbon atom at C-2, dimethylhydrazino or azo moieties in the polar head, and alkane, alkene or alkyne moieties as linkers between the polar ahead and the fatty tail. Read More

View Article and Full-Text PDF

Design, synthesis and biological evaluation of 2-aminopyrimidine-based LSD1 inhibitors.

Bioorg Chem 2022 04 22;121:105699. Epub 2022 Feb 22.

Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenhe District, Shenyang 110016, China.

AZD9291, with excellent pharmaceutical properties, has been reported to have certain LSD1 inhibitory activity. Therefore, we carried out structural optimization based on the AZD9291 skeleton to increase the LSD1 inhibitory potential of the compound. Then, a series of 2-aminopyrimidine derivatives were designed and synthesized as LSD1 inhibitors, and their structure-activity relationships were studied. Read More

View Article and Full-Text PDF

Dynamical interplay between the human high-affinity copper transporter hCtr1 and its cognate metal ion.

Biophys J 2022 Apr 22;121(7):1194-1204. Epub 2022 Feb 22.

Department of Chemistry and the Institute of Nanotechnology and Advanced Materials (BINA), Bar-Ilan University, Ramat-Gan, Israel. Electronic address:

Abnormal cellular copper levels have been clearly implicated in genetic diseases, cancer, and neurodegeneration. Ctr1, a high-affinity copper transporter, is a homotrimeric integral membrane protein that provides the main route for cellular copper uptake. Together with a sophisticated copper transport system, Ctr1 regulates Cu(I) metabolism in eukaryotes. Read More

View Article and Full-Text PDF

The anti-Leishmania potential of bioactive compounds derived from naphthoquinones and their possible applications. A systematic review of animal studies.

Parasitol Res 2022 May 22;121(5):1247-1280. Epub 2022 Feb 22.

Department of Clinical Analysis and Biomedicine, State University of Maringa, Colombo Avenue, 5790, Maringá, Paraná, 87020-900, Brazil.

Leishmaniasis affects millions of people worldwide, and available treatments have severe limitations. Natural and derivative products are significant sources of innovative therapeutic agents. Naphthoquinones are natural or synthetic chemical compounds with broad biological activity. Read More

View Article and Full-Text PDF

One-step purification and immobilization of thermostable β-glucosidase on Na-Y zeolite based on the linker and its application in the efficient production of baohuoside I from icariin.

Bioorg Chem 2022 04 16;121:105690. Epub 2022 Feb 16.

Co-Innovation Center for Sustainable Forestry in Southern China, Nanjing Forestry University, 159 Long Pan Road, Nanjing 210037, China; College of Chemical Engineering, Nanjing Forestry University, 159 Long Pan Road, Nanjing 210037, China. Electronic address:

Baohuoside I, a minor flavonoid component of Herba Epimedii, has better bioactivities than its precursor compound icariin. In this work, we have fused the linker (4LP) to thermostable β-glucosidase (Tpebgl3) and successfully prepared the immobilized enzyme ([email protected]) to produce baohuoside I from icariin. The activity recovery and maximum load of [email protected] were 95. Read More

View Article and Full-Text PDF

Fe(III)-catalyzed regioselective and faster synthesis of isocoumarins with 3-oxoalkyl moiety at C-4: Identification of new inhibitors of PDE4.

Bioorg Chem 2022 04 9;121:105667. Epub 2022 Feb 9.

Dr. Reddy's Institute of Life Sciences, University of Hyderabad Campus, Gachibowli, Hyderabad 500 046, India. Electronic address:

In search of potent and new anti-inflammatory agents, we explored a new class of isocoumarin derivatives possessing the 3-oxoalkyl moiety at C-4 position. These compounds were synthesized via the FeCl catalyzed construction of isocoumarin ring. The methodology involved coupling of 2-alkynyl benzamides with alkyl vinyl ketone and proceeded via a regioselective cyclization to give the desired compound as a result of formation of CO and CC bonds. Read More

View Article and Full-Text PDF

Identification of a dual FLT3 and MNK2 inhibitor for acute myeloid leukemia treatment using a structure-based virtual screening approach.

Bioorg Chem 2022 04 11;121:105675. Epub 2022 Feb 11.

Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan; Ph.D. Program in Drug Discovery and Development Industry, College of Pharmacy, Taipei Medical University, Taipei, Taiwan; TMU Research Center of Drug Discovery, Taipei Medical University, Taipei, Taiwan; TMU Research Center of Cancer Translational Medicine, Taipei Medical University, Taipei, Taiwan; Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan; Cancer Center, Wan Fang Hospital, Taipei Medical University, Taipei, Taiwan. Electronic address:

Fms-like tyrosine kinase 3 (FLT3) is considered a promising therapeutic target for acute myeloid leukemia (AML) in the clinical. However, monotherapy with FLT3 inhibitor is usually accompanied by drug resistance. Dual inhibitors might be therapeutically beneficial to patients with AML due to their ability to overcome drug resistance. Read More

View Article and Full-Text PDF

Beta-blockers for Atherosclerosis Prevention: a Missed Opportunity?

Curr Atheroscler Rep 2022 03 16;24(3):161-169. Epub 2022 Feb 16.

First Faculty of Medicine, Charles University in Prague, Katerinska 32, 121 08, Prague, Czech Republic.

Purpose Of Review: Current guidelines for the management of arterial hypertension endorse β-adrenergic receptor blocking agents (beta-blockers, BBs) as being particularly useful for hypertension in specific situations such as symptomatic angina, tachycardia, post-myocardial infarction, heart failure with reduced ejection fraction (HFrEF), and as an alternative to angiotensin-converting enzyme (ACE) inhibitors or angiotensin receptor blockers (ARBs) in hypertensive women planning pregnancy or at least of child-bearing potential. One of the most common uses of BBs is in patients with a recent myocardial infarction, with or without hypertension. Although this one use is specifically in a setting of atherosclerotic cardiovascular disease (ASCVD), it is not primarily for atheroprevention, but rather for cases with impaired systolic function, and it is intended primarily to lessen adverse cardiac remodeling and worsening of congestive heart failure (CHF). Read More

View Article and Full-Text PDF

Synthesis, biological evaluation, Structure - Activity relationship studies of quinoline-imidazole derivatives as potent antimalarial agents.

Bioorg Chem 2022 04 11;121:105671. Epub 2022 Feb 11.

Medicinal and Process Chemistry Division and CSIR-Central Drug Research Institute, Sector 10, Jankipuram Extension, Sitapur Road, Lucknow 226031, India; Academy of Scientific and Innovative Research, New Delhi 110001, India. Electronic address:

In our efforts to identify novel chemical scaffolds for the development of antimalarial agents, a series of quinoline - imidazole hybrid compounds were synthesized and their blood-stage antimalarial activity was evaluated in both drug-sensitive and -multi drug-resistant (MDR) P. falciparum strains. The new analogs possess sub-micromolar activities against Plasmodium falciparum. Read More

View Article and Full-Text PDF

Discovery of ARS-1620 analogs as KRas G12C inhibitors with high in vivo antitumor activity.

Bioorg Chem 2022 04 10;121:105652. Epub 2022 Feb 10.

School of Pharmaceutical Sciences, Guangdong Provincial Key Laboratory of New Drug Screening, Southern Medical University, Guangzhou 510515, China. Electronic address:

KRas is the most frequently mutated protein of the three Ras isoforms in various cancer types. KRas mutations (i.e. Read More

View Article and Full-Text PDF

Ion permeation, selectivity, and electronic polarization in fluoride channels.

Biophys J 2022 Apr 11;121(7):1336-1347. Epub 2022 Feb 11.

Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois. Electronic address:

Fluoride channels (Flucs) export toxic F from the cytoplasm. Crystallography and mutagenesis have identified several conserved residues crucial for fluoride transport, but the permeation mechanism at the molecular level has remained elusive. Herein, we have applied constant-pH molecular dynamics and free-energy-sampling methods to investigate fluoride permeation through a Fluc protein from Escherichia coli. Read More

View Article and Full-Text PDF

Design, synthesis and biological evaluation of hydantoin derivatives as Mcl-1 selective inhibitors.

Bioorg Chem 2022 04 25;121:105643. Epub 2022 Jan 25.

Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Science, Cheeloo College of Medicine, Shandong University, Ji'nan, Shandong 250012, PR China. Electronic address:

As a member of Bcl-2 protein family, myeloid cell leukemia-1 (Mcl-1) plays a critical role in cell apoptosis and has become a promising anti-cancer drug target. Herein, we designed and synthesized a series of hydantoin derivatives as novel Mcl-1 inhibitors based on our previously developed lead compound. Among them, compound M23 and M24 exhibited good binding affinities against Mcl-1 with K values of 0. Read More

View Article and Full-Text PDF

The type 1 cannabinoid receptor positive allosteric modulators GAT591 and GAT593 reduce spike-and-wave discharges in Genetic Absence Epilepsy Rats from Strasbourg.

IBRO Neurosci Rep 2022 Jun 24;12:121-130. Epub 2022 Jan 24.

Department of Anatomy, Physiology, and Pharmacology, University of Saskatchewan, Saskatoon, SK S7N 5E5, Canada.

Childhood absence epilepsy (CAE) is a non-convulsive seizure disorder primarily in children characterized by absence seizures. Absence seizures consist of 2.5-5 Hz spike-and-wave discharges (SWDs) detectable using electroencephalography (EEG). Read More

View Article and Full-Text PDF

One-pot construction of nitrogen-rich polymeric ionic porous networks for effective CO capture and fixation.

Polym Chem 2021 Dec 24;13(1):121-129. Epub 2021 Nov 24.

College of Chemistry and Chemical Engineering, Central South University Changsha 410083 China

Facile preparation of ionic porous networks (IPNs) with large and permanent porosity is highly desirable for CO capture and transformation but remains a challenge. Here we report a one-pot base-mediated construction of nitrogen-rich IPNs through a combination of nucleophilic substitution and quaternisation chemistry from H-imidazole. This strategy, as proven by the model reactions of 1-imidazole or 1-methyl-1-imidazole with cyanuric chloride, allows for fine regulation of porosity and physicochemical properties, leading to nitrogen-rich IPNs featuring abundant ionic units and radicals. Read More

View Article and Full-Text PDF
December 2021

Facile Strategy for Modulating the Nanoporous Structure of Ultrathin π-Conjugated Polymer Films for High-Performance Gas Sensors.

ACS Sens 2022 01 30;7(1):175-185. Epub 2021 Dec 30.

Alan G. MacDiarmid Energy Research Institute, Chonnam National University, Gwangju 61186, South Korea.

Conventional conjugated polymer (CP) films based on organic field-effect transistors (OFETs) tend to limit the performance of gas sensors owing to restricted analyte diffusion and limited interactions with the charge carriers that accumulate in the first few monolayers of the CP film in contact with the dielectric layer. Herein, a facile strategy is presented for modulating the morphology and charge-transport properties of nanoporous CP films using shearing-assisted phase separation of polymer blends for fabricating OFET-based chemical sensors. This approach enables the formation of nanoporous films with pore size and thickness in the ranges of 90-550 and 7-27 nm, respectively, which can be controlled simply by varying the shear rate. Read More

View Article and Full-Text PDF
January 2022

Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site.

J Chem Inf Model 2022 01 28;62(1):159-175. Epub 2021 Dec 28.

Instituto de Investigaciones Biotecnológicas "Dr. Rodolfo Ugalde"─Universidad Nacional de San Martín─CONICET, San Martín B1650HMP, Buenos Aires, Argentina.

Allosteric inhibitors regulate enzyme activity from remote and usually specific pockets. As they promise an avenue for less toxic and safer drugs, the identification and characterization of allosteric inhibitors has gained great academic and biomedical interest in recent years. Research on falcipain-2 (FP-2), the major papain-like cysteine hemoglobinase of , might benefit from this strategy to overcome the low selectivity against human cathepsins shown by active site-directed inhibitors. Read More

View Article and Full-Text PDF
January 2022

Tetra-Substituted p-Tert-Butylcalix[4]Arene with Phosphoryl and Salicylamide Functional Groups: Synthesis, Complexation and Selective Extraction of f-Element Cations.

Chemistry 2022 Feb 27;28(11):e202104301. Epub 2022 Jan 27.

Institute of Inorganic Chemistry, Leipzig University, Johannisallee 29, 04103, Leipzig, Germany.

A new series of lanthanide (1-5) and uranyl (6) complexes with a tetra-substituted bifunctional calixarene ligand H L is described. The coordination environment for the Ln and UO ions is provided by phosphoryl and salicylamide functional groups appended to the lower rim of the p-tert-butylcalix[4]arene scaffold. Ligand interactions with lanthanide cations (light: La , Pr ; intermediate: Eu and Gd ; and heavy: Yb ), as well as the uranyl cation (UO ) is examined in the solution and solid state, respectively with spectrophotometric titration and single crystal X-ray diffractometry. Read More

View Article and Full-Text PDF
February 2022

Specific sub fractions from Terminalia mantaly (H. Perrier) extracts potently inhibit Plasmodium falciparum rings, merozoite egress and invasion.

J Ethnopharmacol 2022 Mar 10;285:114909. Epub 2021 Dec 10.

Antimicrobial and Biocontrol Agents Unit, Laboratory for Phytobiochemistry and Medicinal Plants Study, Faculty of Science, University of Yaoundé I, P.O. Box 812, Yaoundé, Cameroon. Electronic address:

Ethnopharmacological Relevance: Terminalia mantaly (H. Perrier) and Terminalia superba (Engl. & Diels) are sources of treatment for various diseases, including malaria and/or related symptoms in parts of Southwestern Cameroon. Read More

View Article and Full-Text PDF

Catalytic Asymmetric Hydroalkoxylation of C-C Multiple Bonds.

Chem Rev 2021 12 3;121(24):14649-14681. Epub 2021 Dec 3.

Max-Planck-Institut für Kohlenforschung, Kaiser Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

Asymmetric hydroalkoxylation of alkenes constitutes a redox-neutral and 100% atom-economical strategy toward enantioenriched oxygenated building blocks from readily available starting materials. Despite their great potential, catalytic enantioselective additions of alcohols across a C-C multiple bond are particularly underdeveloped, especially compared to other hydrofunctionalization methods such as hydroamination. However, driven by some recent innovations, e. Read More

View Article and Full-Text PDF
December 2021

Selective recognition of tetracycline residues in animal derived samples based on molecularly imprinted microspheres from silica-stabilised Pickering emulsion polymerisation.

Food Addit Contam Part A Chem Anal Control Expo Risk Assess 2022 Feb 2;39(2):285-294. Epub 2021 Dec 2.

School of Food Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, PR China.

Novel molecularly imprinted polymers for selective binding of tetracyclines were synthesised through oil-in-water Pickering emulsion polymerisation with SiO particles as stabilisers. The products were used for solid phase extraction coupled with high-performance liquid chromatography to detect trace tetracycline and oxytetracycline in animal-derived samples. The SPE materials were characterised in detail by Fourier transform infrared spectrometry, scanning electron microscopy and thermogravimetry analysis. Read More

View Article and Full-Text PDF
February 2022

Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Fluorinated Candidates as PI3K Inhibitors: Targeting Fluorophilic Binding Sites.

J Med Chem 2021 12 18;64(23):17468-17485. Epub 2021 Nov 18.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al-Azhar University, Assiut Branch, Assiut 71524, Egypt.

Highly fluorinated candidates containing anticancer pharmacophores like thiosemicarbazone (-) and its cyclic analogues hydrazineylidenethiazolidine (-), 2-aminothiadiazole (-), and 2-hydrazineylidenethiazolidin-4-one (-) were synthesized, and their cytotoxic activity was assayed against 60 tumor cell lines. Compounds , , and displayed the most potent activity with lower toxic effects on MCF-10a. phosphatidylinositol 3-kinase (PI3K) enzyme inhibition was performed. Read More

View Article and Full-Text PDF
December 2021

Mechanistic insight into selective adsorption and easy regeneration of carboxyl-functionalized MOFs towards heavy metals.

J Hazard Mater 2022 02 4;424(Pt D):127684. Epub 2021 Nov 4.

State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023, China; Research Center for Environmental Nanotechnology (ReCENT), Nanjing University, Nanjing 210023, China; State Environmental Protection Engineering Center for Organic Chemical Wastewater Treatment and Resource Reuse, Nanjing 210046, China. Electronic address:

The development of heavy metal adsorbents with high selectivity has become a research hotspot due to the interference of coexisting ions (e.g., Na, Ca) in the actual wastewater, but the more difficult regeneration caused by high adsorption selectivity severely limits its practical applications. Read More

View Article and Full-Text PDF
February 2022

Pharmacological characterization of DPTN and other selective A adenosine receptor antagonists.

Purinergic Signal 2021 12 28;17(4):737-746. Epub 2021 Oct 28.

Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892-0810, USA.

The A adenosine receptor (AR) is emerging as an attractive drug target. Antagonists are proposed for the potential treatment of glaucoma and asthma. However, currently available AAR antagonists are potent in human and some large animals, but weak or inactive in mouse and rat. Read More

View Article and Full-Text PDF
December 2021

Diagnostics of Banana Blood Disease.

Plant Dis 2022 Mar 10;106(3):947-959. Epub 2022 Mar 10.

Centre for Horticultural Science, Queensland Alliance for Agriculture and Food Innovation, The University of Queensland, Brisbane, QLD 4072, Australia.

Blood disease in bananas caused by subsp. is a bacterial wilt disease that causes major yield losses of banana in Indonesia and peninsular Malaysia. The disease has significantly increased its geographic distribution in the past decade. Read More

View Article and Full-Text PDF

Single-Atom (Iron-Based) Catalysts: Synthesis and Applications.

Chem Rev 2021 11 13;121(21):13620-13697. Epub 2021 Oct 13.

Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute, Palacký University, 779 00 Olomouc, Czech Republic.

Supported single-metal atom catalysts (SACs) are constituted of isolated active metal centers, which are heterogenized on inert supports such as graphene, porous carbon, and metal oxides. Their thermal stability, electronic properties, and catalytic activities can be controlled via interactions between the single-metal atom center and neighboring heteroatoms such as nitrogen, oxygen, and sulfur. Due to the atomic dispersion of the active catalytic centers, the amount of metal required for catalysis can be decreased, thus offering new possibilities to control the selectivity of a given transformation as well as to improve catalyst turnover frequencies and turnover numbers. Read More

View Article and Full-Text PDF
November 2021

Pentamethinium Salts Nanocomposite for Electrochemical Detection of Heparin.

Materials (Basel) 2021 Sep 17;14(18). Epub 2021 Sep 17.

Department of Analytical Chemistry, University of Chemistry and Technology, Prague, Technická 5, 166 28 Prague 6, Czech Republic.

This study presents a simple route to heparin detection and develops a voltammetric approach using supramolecular principles and nanomaterials. Nanocomposites, including gold nanoparticles (AuNPs) and γ-substituted pentamethinium salts (PMS) deposited on a glass carbon (GC) electrode surface (GC/AuNPs/PMS) and covered by a plasticized poly(vinyl chloride) (PVC) membrane, are proposed for heparin detection. The conductivity of the nonconducting PVC-plasticized membrane is guaranteed by AuNPs, and the selectivity is provided by the interaction between γ-substituted PMS and anionic analytes. Read More

View Article and Full-Text PDF
September 2021

Discovery and Characterization of a Rapidly Fungicidal and Minimally Toxic Peptoid against .

ACS Med Chem Lett 2021 Sep 23;12(9):1470-1477. Epub 2021 Aug 23.

Department of Chemistry, Middle Tennessee State University, 1301 E. Main St., Murfreesboro, Tennessee 37132, United States.

A limited number of antifungals are available to treat infections caused by fungal pathogens such as and . Current clinical antifungals are generally toxic, and increasing resistance to these therapies is being observed, necessitating new, effective, and safe antifungals. Peptoids, or N-substituted glycines, have shown promise as antimicrobial agents against bacteria, fungi, and parasites. Read More

View Article and Full-Text PDF
September 2021