Chemaxon blog

12 09 2019
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A Multi-Technique Investigation of a New Macroacyclic Schiff Base Ligand and its Cd(II), Zn(II) and Cu(II) Complexes

A new macroacyclic Schiff base, 1,3-bis(2((Z)-(hydroxyethylimino)methyl) phenoxy)propan-2-ol,...

12 09 2019
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Comparative Evaluation of Covalent Docking Tools

Increased interest in covalent drug discovery led to the development of computer programs...

12 09 2019
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Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy

In humans, eight 5'-nucleotidases catalyze the hydrolysis of nucleoside 5'-monophosphates into...

12 09 2019
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Amphiphilic-DNA Platform for the Design of Crystalline Frameworks with Programmable Structure and Functionality

The reliable preparation of functional, ordered, nanostructured frameworks would be a game changer...

12 09 2019
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Multicomponent crystals of nitrofurazone – when more is less

Multicomponent crystal formation of nitrofurazone, a conformationally flexible drug that is capable...

12 09 2019
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Functionalised bicyclic tetramates derived from cysteine as antibacterial agents

Routes to bicyclic tetramates derived from cysteine permitting ready incorporation of functionality...

12 09 2019
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Atom-by-atom tuning of the electrostatic potassiumchannel modulator dehydroabietic acid

Dehydroabietic acid (DHAA) is a naturally occurring component of pine resin that was recently shown...

12 09 2019
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Foodinformatics: Quantitative Structure-Property Relationship Modeling of Volatile Organic Compounds in Peppers

The aim of this work was the foodinformatic (chemoinformatic) modeling of volatile organic...

12 09 2019
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Fluorescence detection and removal of copper from water using a biobased and biodegradable 2D soft material

We have developed a green and robust fluorogenic (λex = 410 nm, λem = 510 nm) cellulose membrane...

12 09 2019
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The Tetrazole Analogue of the Auxin Indole-3-acetic Acid Binds Preferentially to TIR1 and Not AFB5

Indole-3-acetic acid (auxin) is considered one of the cardinal hormones in plant growth and...

12 09 2019
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Discovery of potent and selective inhibitors of the Escherichia coli M1- aminopeptidase via multicomponent solid-phase synthesis of tetrazole-peptidomimetics

The Escherichia coli neutral M1-aminopeptidase (ePepN) is a novel target identified for the...

12 09 2019
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Bar adsorptive microextraction (BAE) coated with mixed sorbent phases

The present work proposes the application of bar adsorptive microextraction coated with mixed...