Chemaxon blog
Filter by content type
Revealing dye and dye-drug aggregation into nano-entities using NMR
It is becoming increasingly apparent that small molecules can self-assemble into a wide-range of...
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...
Design, Synthesis, and Biological Evaluation of a New Series of Carvedilol Derivatives
Aminoglycosides (AGs) are broad-spectrum antibiotics used for the treatment of serious bacterial...
Structural Characterization of Agonist Binding to Protease- Activated Receptor 2 through Mutagenesis and Computational Modeling
Protease-activated receptor 2 (PAR2) is a G-protein-coupled receptor that is activated by...
In-silico profiling of the biological activities of Amaryllidaceae alkaloids
Objectives The large number of publications about Amaryllidaceae alkaloids reflects the abundance...
Conjugates of methylene blue with y-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases
We studied the inhibitory activity of methylene blue (MB) γ-carbolines (gC) conjugates (MB-gCs)...
Analysis of the Ligand Efficiency of 4-Thiazolidinone Derivatives with Antitumor Activity
Ligand efficiency analysis has been shown to be useful in the selection and optimization of new...
Potential of marine natural products against drug-resistant fungal, viral, and parasitic infections
Antibiotics have revolutionised medicine in many aspects, and their discovery is considered a...
Inhibition of Human Drug Transporter Activities by the Pyrethroid Pesticides Allethrin and Tetramethrin
Pyrethroids are widely-used chemical insecticides, to which humans are commonly exposed, and known...
Identification of Unknown Antiandrogenic Compounds in Surface Waters by Effect-Directed Analysis (EDA) Using a Parallel Fractionation Approach
Among all the nuclear-receptor mediated endocrine disruptive effects, antiandrogenicity is...
LigQ: A Webserver to Select and Prepare Ligands for Virtual 2 Screening
Virtual screening is a powerful methodology to search for new small molecule inhibitors against a...
Machine learning for the prediction of molecular dipole moments obtained by density functional theory
Machine learning (ML) algorithms were explored for the fast estimation of molecular dipole moments...