24 results match your criteria Chemistryselect[Journal]

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Evaluation of the Inhibitory Activities of COVID-19 of Oil Using Docking Simulation.

ChemistrySelect 2020 Jun 2;5(21):6312-6320. Epub 2020 Jun 2.

Department of Chemistry University of Sciences Hue University Hue City 530000 Vietnam.

GC-MS was applied to identify 24 main substances in essential oil () extracted from fresh cajeput leaves through steam distilling. The inhibitory capability of active compounds in the from Thua Thien Hue, Vietnam over the Angiotensin-Converting Enzyme 2 (ACE2) protein in human body - the host receptor for SARS-CoV-2 and the main protease (PDB6LU7) of the SARS-CoV-2 using docking simulation has been studied herein. The results indicate that the ACE2 and PDB6LU7 proteins were strongly inhibited by 10 out of 24 compounds accounting for 70. Read More

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http://dx.doi.org/10.1002/slct.202000822DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7300966PMC

Synthesis, Spectroscopic Characterizations of Novel Norcantharimides, Their ADME Properties and Docking Studies Against COVID-19 M°.

ChemistrySelect 2020 May 12;5(18):5422-5428. Epub 2020 May 12.

Department of Chemistry, Faculty of Science Çankırı Karatekin University 18100 Çankırı Turkey.

A series of novel Norcantharimide derivatives were synthesized and their structures were characterized by FTIR, H and C NMR spectroscopy as well as elemental analyses. The absorption, distribution, metabolism and excretion (ADME) properties of the synthesized molecules were investigated. The results obtained in silico demonstrated that these molecules can be considered as orally active drug candidates due to their physicochemical properties. Read More

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http://dx.doi.org/10.1002/slct.202001123DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7272884PMC

Spiro-Indole-Coumarin Hybrids: Synthesis, ADME, DFT, NBO Studies and In Silico Screening through Molecular Docking on DNA G-Quadruplex.

ChemistrySelect 2020 Mar 19;5(11):3420-3433. Epub 2020 Mar 19.

Department of Chemistry University of Delhi Delhi 110007 India.

New series of hybrids were synthesized by combination of 4-hydroxycoumarin with spiro[indol-indazole-thiazolidine]-diones and spiro[indol-pyrazole-thiazolidine]-diones, hitherto unknown Schiff bases. The effects of substituents, such as -F, -Br and -CH, on the crucial characteristics pertaining to the hybrids were investigated through computational studies. or virtual screening through molecular docking studies on the library of 22 compounds, including reference compounds, precursors, non-hybrid and hybrid derivatives, was performed on DNA G-quadruplex of the human genome. Read More

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http://dx.doi.org/10.1002/slct.201904783DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7169502PMC

Identification and Screening of Selective WEE2 Inhibitors to Develop Non-Hormonal Contraceptives that Specifically Target Meiosis.

ChemistrySelect 2019 Dec 5;4(45):13363-13369. Epub 2019 Dec 5.

Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, University of Minnesota, 717 Delaware Street Southeast, Minneapolis, MN 55414 (USA).

We used a progressive elimination strategy to identify oocyte-specific WEE2 kinase inhibitors for potential non-hormonal contraceptives that target meiosis. Beginning with an in-house library of over 300,000 compounds, virtual high throughput screening identified 57 WEE2 inhibitors with preferential predicted binding over the somatic variant WEE1. Seven compounds were further evaluated by enzyme-linked immunosorbent assay to measure biochemical inhibition on WEE1 and WEE2 phosphorylation of CDK1. Read More

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http://dx.doi.org/10.1002/slct.201903696DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7079731PMC
December 2019

Antibacterial Properties of Charged TiN Surfaces for Dental Implant Application.

ChemistrySelect 2019 Aug 19;4(31):9185-9189. Epub 2019 Aug 19.

Restorative Dental Sciences, Division of Prosthodontics University of Florida, Gainesville.

The formation and characterization of positively surface charged TiN surfaces were investigated for improving dental implant survival. Surface nitrogen atoms of a traditional TiN implant were converted to a positive charge by a quaternization reaction which greatly increased the antibacterial efficiency. Ti, TiN, and quaternized TiN samples were incubated with human patient subgingival bacteria for 4 hours at 37°C in an anaerobic environment with an approximate 40% reduction in counts on the quaternized surface over traditional Ti and TiN. Read More

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http://dx.doi.org/10.1002/slct.201901001DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7059626PMC

Squaramide-Based 5'-Phosphate Replacements Bind to the DNA Repair Exonuclease SNM1A.

ChemistrySelect 2018 Dec 4;3(45):12824-12829. Epub 2018 Dec 4.

School of Chemistry Trinity Biomedical Sciences Institute Trinity College Dublin 152-160 Pearse St. Dublin 2 Ireland.

Phosphate groups are often crucial to biological activity and interactions of oligonucleotides, but confer poor membrane permeability. In addition, the group's lability to enzymatic hydrolysis is an obstacle to its use in therapeutics and in biological tools. We present the synthesis of -oxyamide and squaramide modifications at the 5'-end of oligonucleotides as phosphate replacements and their biological evaluation using the 5'-exonuclease SNM1A. Read More

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http://dx.doi.org/10.1002/slct.201803375DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6685075PMC
December 2018
2 Reads

Incorporation of Sensitive Ester and Chloropurine Groups into Oligodeoxynucleotides through Solid Phase Synthesis.

ChemistrySelect 2018 Aug 16;3(31):8857-8862. Epub 2018 Aug 16.

Department of Chemistry, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931, USA.

Nucleosides containing ester groups that are sensitive to nucleophiles were incorporated into oligodeoxynucleotides (ODNs) through solid phase chemical synthesis. The sensitive esters are located on a purine nucleobase. They are the esters of ethyl, 2-methoxyethyl, 4-methoxyphenyl and phenyl groups, and a thioester. Read More

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http://dx.doi.org/10.1002/slct.201801484DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6420219PMC
August 2018
1 Read

Microwave-Assisted Biogenic Synthesis of Metal-Decorated Reduced Graphene Oxide and their Electrochemical Properties.

ChemistrySelect 2018 Dec 17;3(47):13438-13441. Epub 2018 Dec 17.

Department of Chemistry, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam Campus Puttaparthi, Anantapur District, Andhra Pradesh-515134, India, Tel.: +919441587413.

Herein we report a microwave assisted, fungal extract mediated synthesis of noble metal decorated reduced graphene oxide(r-GO). The carbon to oxygen ratio increased from 1.46 in GO to 2. Read More

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http://dx.doi.org/10.1002/slct.201803420DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6370324PMC
December 2018
1 Read

Semisynthesis and Biological Evaluation of Platensimycin Analogues with Varying Aminobenzoic Acids.

ChemistrySelect 2018 Nov 29;3(44):12625-12629. Epub 2018 Nov 29.

Xiangya International Academy of Translational Medicine, Central South University, Changsha, Hunan 410013 (China).

Platensimycin (PTM) is an excellent natural product drug lead against various gram-positive pathogens, including methicillin-resistant and vancomycin-resistant enterococci. In this study, twenty PTM derivatives with varying aminobenzoic acids were semisynthesized. In contrast to all the previous reported inactive aminobenzaote analogues, a few of them showed moderate antibacterial activities against . Read More

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http://dx.doi.org/10.1002/slct.201802475DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7105086PMC
November 2018

Synthesis of Constrained Heterocycles Employing Two Post-Ugi Cyclization Methods for Rapid Library Generation with In Cellulo Activity.

ChemistrySelect 2017 Dec 19;2(35):11821-11825. Epub 2017 Dec 19.

Department of Pharmaceutical Sciences, College of Pharmacy, University of Arkansas for Medical Sciences, Little Rock, Arkansas 72205 United States

Benzimidazoles and quinoxalinones are present in the core of many pharmacologically relevant compounds. Several combinatorial methods have been developed to attach ring systems to both scaffolds for derivatization at select positions. Herein, we describe the development of novel constrained heterocyclic compounds attached to the N1 position of both benzimidazole and quinoxalinone scaffolds. Read More

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http://dx.doi.org/10.1002/slct.201702179DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6103208PMC
December 2017
4 Reads

Selective Inhibition of Species Members' Reproduction by Furano[2, 3-]pyrimidine Nucleosides Revealed by Antiviral Activity Profiling against (+)ssRNA Viruses.

ChemistrySelect 2018 Feb 27;3(8):2321-2325. Epub 2018 Feb 27.

Institute of Poliomielitis and Viral Encephalitides FSBSI Chumakov FSC R&D IBP RAS Poselok Instituta Poliomielita, 8 bd. 1, Poselenie Moskovsky Moscow 108819 Russia.

The rational design of broad-spectrum antivirals requires data on antiviral activity of compounds against multiple viruses, which are often not available. We have developed a panel of (+)ssRNA viruses composed of and genera members allowing to study these activity spectra. Antiviral activity profiling of a set of nucleoside analogues revealed -hydroxycytidine as an efficient inhibitor of replication of coxsackieviruses and other enteroviruses, but ineffective against tick-borne encephalitis virus. Read More

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http://dx.doi.org/10.1002/slct.201703052DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7169607PMC
February 2018

Divide and Control: Comparison of Split and Switch Hybridization Sensors.

ChemistrySelect 2017 Jul 4;2(19):5427-5431. Epub 2017 Jul 4.

Chemistry Department, Burnett School of Biomedical Sciences, National Center for Forensic Science, University of Central Florida, 4000 N. Central Florida Ave, Orlando, FL 32826.

Hybridization probes have been intensively used for nucleic acid analysis in medicine, forensics and fundamental research. Instantaneous hybridization probes (IHPs) enable signalling immediately after binding to a targeted DNA or RNA sequences without the need to isolate the probe-target complex (e. g. Read More

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http://dx.doi.org/10.1002/slct.201701179DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5777618PMC
July 2017
4 Reads

New 1,1'-Ferrocene Bis(sulfonyl) Reagents.

ChemistrySelect 2016 Dec;1(20):6438-6441

Department of Chemistry, University of Akron, Akron, Ohio 44312-3601 (USA).

Several new 1,1'-bis(sulfonyl)ferrocenes designed for the synthesis of sulfonamide linked biological conjugates have been prepared. 1,1'-Bis(sulfonylbromide)ferrocene can be produced from the corresponding sulfonylchloride via a bis(sulfonylhydrazide) intermediate. Bis(sulfonyl--hydroxybenzotriazole)ferrocene can also be synthesized from the sulfonyl chloride, and reaction of glycine methyl ester with the sulfonyl chloride affords a [3]ferrocenophane complex. Read More

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http://dx.doi.org/10.1002/slct.201601748DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5758046PMC
December 2016
5 Reads

Systematic optimization and modification of a DNA aptamer with 2'-O-methyl RNA analogues.

ChemistrySelect 2017 Mar 6;2(7):2335-2340. Epub 2017 Mar 6.

Department of Chemistry, Lehman College for The City University of New York, 250 Beford Park Blvd West, Bronx, New York, NY 10468.

Nucleic acid aptamers (NAAs) are short synthetic DNA or RNA molecules that specifically fold into distinct three-dimensional structures able to specifically recognize a target. While NAAs show unprecedented promise in a variety of applications, including sensing, therapeutics and diagnostics, one major limitation involves the lack of stability towards omnipresent nucleases. Therefore, we herein report a systematic truncation and incorporation of 2'-O-methyl bases to a DNA aptamer, which results in increased stability without affecting affinity. Read More

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http://dx.doi.org/10.1002/slct.201700359DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5716488PMC
March 2017
3 Reads

Facile Synthesis of a Next Generation Safety-Catch Acid-Labile Linker, SCAL-2, Suitable for Solid-Phase Synthesis, On-Support Display and for Post-Synthesis Tagging.

ChemistrySelect 2017 Aug 16;2(23):6658-6662. Epub 2017 Aug 16.

School of Biological Sciences and Edinburgh Medical School: Biomedical SciencesUniversity of Edinburgh, The King's Buildings, EdinburghScotland EH9 3BFU.K.

The SCAL linker, a safety catch linker, is amongst the most versatile linkers for solid phase synthesis. It was originally described in 1991 by Pátek and Lebl. Yet, its application has been hindered by the low yields of published synthetic routes. Read More

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http://dx.doi.org/10.1002/slct.201701519DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5661701PMC
August 2017
7 Reads

Formation of Hindered Arylcarbamates using Alkyl Aryl Carbonates under Highly Reactive Conditions.

ChemistrySelect 2017 May 10;2(13):3959-3963. Epub 2017 May 10.

Department of Chemistry Michigan Technological University 1400 Townsend Drive, Houghton, MI 49931.

Hindered --alkyl -arylcarbamates were conveniently prepared by treating arylamines with aryl -alkyl carbonates in the presence of a strong base. The new method avoids the use of sensitive and difficult-to-access dialkyl dicarbonates and isocyanates, which are most commonly used in known methods. Instead, the stable and readily accessible alkyl aryl carbonates are used. Read More

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http://dx.doi.org/10.1002/slct.201700364DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5662102PMC
May 2017
6 Reads

On the Catalytic Activity of Pt Supported by Graphyne in the Oxidation of Ethanol.

ChemistrySelect 2017 Mar;2(7):2311-2321

Department of Chemistry and Forensic Science, Albany State University, Albany, Georgia 31705, USA.

The adsorption of Pt clusters on β- and γ-graphyne (β-GY, γ-GY), graphdiyne (GDY), and graphene (GP) was extensively investigated with density functional theory. Ethanol adsorption and its partial oxidation on the Pt supported by the GY and GP were then explored to address the influence of the supporting materials on the activity of Pt nanoclusters to ethanol oxidation. Among the examined adsorption sites such as the hollow, C-C, and C-C bonds, the hollow site consisting of multiple triple bonds is the most attractive one to adsorb Pt and Pt regardless of β-GY, γ-GY, and GDY. Read More

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http://dx.doi.org/10.1002/slct.201601874DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5613985PMC
March 2017
9 Reads

Charge-Neutral, Stable, Non-Cytotoxic, Near-Infrared SnS Aqueous Quantum Dots for High Signal-to-Noise-Ratio Biomedical Imaging.

ChemistrySelect 2017 Aug 28;2(24):7332-7339. Epub 2017 Aug 28.

Department of Materials Science and Engineering, Drexel University.

We have synthesized charge-neutral, stable, non-cytotoxic, bright, near-infrared (NIR) SnS quantum dots (QDs) by first making Cysteamine-capped SnS QDs in glycerol under acidic conditions followed by lengthening the capping molecule with peptide bonds by reacting the capping molecules with glycine and subsequent heat treatment at 200°C for 4 hours. The obtained stable SnS QDs exhibited a band gap of 1.5 eV and a strong, narrow NIR emission peak at 830 nm with a quantum yield of 4. Read More

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http://doi.wiley.com/10.1002/slct.201700855
Publisher Site
http://dx.doi.org/10.1002/slct.201700855DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6219619PMC
August 2017
3 Reads

Role of Anomalous Water Constraints in the Efficacy of Pharmaceuticals Probed by H Solid-State NMR.

ChemistrySelect 2017 Aug 16;2(23):6797-6800. Epub 2017 Aug 16.

Department of Chemistry, University of Michigan, 930 N. University Ave., Ann Arbor, MI 48109-1055, USA.

Water plays a complex and central role in determining the structural and reactive properties in numerous chemical systems. In crystalline materials with structural water, the primary focus is often to relate hydrogen bonding motifs to functional properties such as solubility, which is highly relevant in pharmaceutical applications. Nevertheless, understanding the full electrostatic landscape is necessary for a complete structure-function picture. Read More

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http://dx.doi.org/10.1002/slct.201701547DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6754108PMC

-Bond: Τhe Chemistry-Biology -Bridge.

ChemistrySelect 2016 Sep 20;1(15):4520-4532. Epub 2016 Sep 20.

Laboratory of Biochemistry Hellenic Pasteur Institute 127 Vas. Sofias Ave. GR-115 21 Athens Greece.

H-bonding, as a non covalent stabilizing interaction of diverse nature, has a central role in the structure, function and dynamics of chemical and biological processes, pivotal to molecular recognition and eventually to drug design. Types of conventional and non conventional (H-H, dihydrogen, H- π, CH- π, anti- , proton coordination and H-S) H-bonding interactions are discussed as well as features emerging from their interplay, such as cooperativity (σ- and π-) effects and allostery. Its utility in many applications is described. Read More

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http://dx.doi.org/10.1002/slct.201600770DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7169486PMC
September 2016

Conformational Shift of a β-Hairpin Peptide upon Complex Formation with an Oligo-proline Peptide Studied by Mass Spectrometry.

ChemistrySelect 2016 Aug 19;1(13):3651-3656. Epub 2016 Aug 19.

Department of Pharmaceutical Chemistry and Bioanalytics, Institute for Pharmacy, Martin-Luther-Universit t Halle-Wittenberg W.-Langenbeck-Straße 4, 06120 Halle (Germany).

So-called super-secondary structures such as the β-hairpin, studied here, form an intermediate hierarchy between secondary and tertiary structures of proteins. Their sequence-derived 'pure' peptide backbone conformation is combined with 'remote' interstrand or interresidue contacts reminiscent of the 3D-structure of full-length proteins. This renders them ideally suited for studying potential nucleation sites of protein folding reactions as well as intermolecular interactions. Read More

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http://dx.doi.org/10.1002/slct.201600934DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6289508PMC

NMR Signal Amplification by Reversible Exchange of Sulfur-Heterocyclic Compounds Found In Petroleum.

ChemistrySelect 2016 Jul 15;1(10):2552-2555. Epub 2016 Jul 15.

Department of Radiology, Vanderbilt University Institute of Imaging Science (VUIIS), Department of Biomedical Engineering, Vanderbilt-Ingram Cancer Center (VICC), Vanderbilt University, Nashville, TN 37232 USA.

NMR hyperpolarization via Signal Amplification by Reversible Exchange (SABRE) was employed to investigate the feasibility of enhancing the NMR detection sensitivity of sulfur-heterocycles (specifically 2-methylthiophene and dibenzothiophenes), a family of compounds typically found in petroleum and refined petroleum products. SABRE hyperpolarization of sulfur-heterocycles (conducted in seconds) offers potential advantages of providing structural information about sulfur-containing contaminants in petroleum, thereby informing petroleum purification and refining to minimize sulfur content in refined products such as gasoline. Moreover, NMR spectroscopy sensitivity gains endowed by hyperpolarization potentially allows for performing structural assays using inexpensive, low-magnetic-field (. Read More

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http://dx.doi.org/10.1002/slct.201600761DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4972496PMC
July 2016
8 Reads

Ion Mobility Separations of Isomers based upon Long Path Length Structures for Lossless Ion Manipulations Combined with Mass Spectrometry.

ChemistrySelect 2016 Jul;1(10):2396-2399

Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, 902 Battelle Blvd, Richland, WA 99352 (USA).

Mass spectrometry (MS)-based multi-omic measurements, including proteomics, metabolomics, lipidomics, and glycomics, are increasingly transforming our ability to characterize and understand biological systems. Multi-omic analyses and the desire for comprehensive measurement coverage presently have limitations due to the chemical diversity and range of abundances of biomolecules in complex samples. Advances addressing these challenges increasingly are based upon the ability to quickly separate, react and otherwise manipulate sample components for analysis by MS. Read More

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http://dx.doi.org/10.1002/slct.201600460DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5603265PMC
July 2016
15 Reads

A 'Plug and Play' Platform for the Production of Diverse Monoterpene Hydrocarbon Scaffolds in .

ChemistrySelect 2016 Jun;1(9):1893-1896

SYNBIOCHEM, Manchester Institute of Biotechnology, Faculty of Life Sciences, University of Manchester, Manchester M1 7DN (UK).

The terpenoids constitute one of the largest and most diverse classes of natural compounds with applications as pharmaceuticals, flavorings and fragrances, pesticides and biofuels. Synthetic biology is ideally placed to create new routes to this chemical diversity and facilitation of new compound discovery. The C10 monoterpenoids display a huge structural diversity produced from a single substrate, geranyl diphosphate, by a family of monoterpene cyclases and synthases (mTC/S). Read More

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http://dx.doi.org/10.1002/slct.201600563DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947754PMC
June 2016
34 Reads
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