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Comparative Evaluation of Covalent Docking Tools
Increased interest in covalent drug discovery led to the development of computer programs...
Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy
In humans, eight 5'-nucleotidases catalyze the hydrolysis of nucleoside 5'-monophosphates into...
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...
Multicomponent crystals of nitrofurazone – when more is less
Multicomponent crystal formation of nitrofurazone, a conformationally flexible drug that is capable...
Functionalised bicyclic tetramates derived from cysteine as antibacterial agents
Routes to bicyclic tetramates derived from cysteine permitting ready incorporation of functionality...
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...
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...
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...
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...
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...
Bar adsorptive microextraction (BAE) coated with mixed sorbent phases
The present work proposes the application of bar adsorptive microextraction coated with mixed...
Internal Concentrations in Gammarids Reveal Increased Risk of Organic Micropollutants in Wastewater-Impacted Streams
Internal concentrations link external exposure to the potential effect, as they reflect what the...