Chemaxon newsroom
Publication
Filter by content type
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...
Structural insights into serotonin receptor ligands polypharmacology
Identifying desired interactions with a target receptor is often the first step when designing new...
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...
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...
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...
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...
Chemometric-assisted method development in hydrophilic interaction liquid chromatography: A review
With an enormous growth in the application of hydrophilic interaction liquid chromatography...
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...
Design and Synthesis of Small Molecule Agonists of EphA2 Receptor
Ligand-independent activation of EphA2 receptor kinase promotes cancer metastasis and invasion....
5-Arylidene(chromenyl-methylene)-thiazolidinediones: Potential New Agents against Mutant Oncoproteins K-Ras, N-Ras and B-Raf in Colorectal Cancer and Melanoma
Background and objectives: Cancer represents the miscommunication between and within the body...
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis
Here, we report the data visualization, analysis and modeling for a large set of 4830 SN2 reactions...
Minimalist Approach to Design of ComplexityEnriched Bioactive Small Molecules: Discovery of Phenanthrenoid Mimics as Antiproliferative Agents
Over the last decades, much effort has been devoted to the design of the “ideal” library for...