Chemaxon blog

12 09 2019
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Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors

The global spread of bacterial resistance to drugs used in therapy requires new potent and safe...

12 09 2019
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Versatile protein recognition by the encoded display of multiple chemical elements on a constant macrocyclic scaffold

In nature, specific antibodies can be generated as a result of an adaptive selection and expansion...

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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Intracellular Drug Bioavailability: Effect of Neutral Lipids and Phospholipids

Intracellular unbound drug concentrations are the pharmacologically relevant concentrations for...

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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Structural insights into serotonin receptor ligands polypharmacology

Identifying desired interactions with a target receptor is often the first step when designing new...

12 09 2019
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Simultaneous Detection of Oxygen and Hydrogen Peroxide on Fluorine Doped Tin Oxide Electrodes

Hydrogen peroxide is an unstable oxidizer that occurs naturally in the marine environment. In...

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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Inhibition of Androgen Receptor Function and Level in Castration-Resistant Prostate Cancer Cells by 2-[(isoxazol-4-ylmethyl)thio]- 1-(4-phenylpiperazin-1-yl)ethanone

The androgen receptor (AR) plays a critical role in the development of castration-resistant...

12 09 2019
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The Catch-22 of Predicting hERG Blockade Using Publicly Accessible Bioactivity Data

Drug-induced inhibition of the human ether-à-go-go-related gene (hERG)-encoded potassium ion...

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...