Chemaxon blog
Filter by content type
Bitter and sweet tasting molecules: It's complicated
“Bitter” and “sweet” are frequently framed in opposition, both functionally and metaphorically, in...
2‐Phenylquinoline S. aureus NorA Efflux Pump Inhibitors: Evaluation of the Importance of Methoxy Group Introduction
Antimicrobial resistance (AMR) represents a hot topic in drug discovery. Besides the identification...
Metagenomic discovery of a novel transaminase for valorization of monoaromatic compounds
The profitability of next-generation biorefineries is acutely contingent on the discovery and...
Organoarsenicals in poultry litter: Detection, fate, and toxicity
Arsenic contamination in groundwater has endangered the health and safety of millions of people...
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy
The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the...
Design Hub for early phase drug discovery
Drug discovery is an iterative process of hypothesis construction relying on observations and...
Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors
A series of 31 N,N-disubstituted 2-amino-5-halomethyl-2-thiazolines was designed, synthesized, and...
Screening of Pesticide and Biocide Patterns As Risk Drivers in Sediments of Major European River Mouths: Ubiquitous or River Basin-Specific Contamination?
Pesticides and biocides (PaB) are ubiquitously present in aquatic ecosystems due to their...
Purified NADH-cytochrome b5 reductase is a novel superoxide anion source inhibited by apocynin: sensitivity to nitric oxide and peroxynitrite
Cytochrome b5 reductase (Cb5R) is a pleiotropic flavoprotein that catalyzes multiple one-electron...
Site of metabolism prediction for oxidation reactions mediated by oxidoreductases based on chemical bond
MOTIVATION: The metabolites of exogenous and endogenous compounds play a pivotal role in the domain...
Far-Red and Near-Infrared Seminaphthofluorophores for Targeted Pancreatic Cancer Imaging
Molecular probes that selectively highlight pancreatic cancer (PC) tissue have the potential to...
Temperature-Dependent Estimation of Gibbs Energies Using an Updated Group-Contribution Method
Reaction-equilibrium constants determine the metabolite concentrations necessary to drive flux...