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Economical and Simple Preparation of Oleyl Bromide from Commercially Available Olive Oil
The objective of this work was to get access to a cheap and easy to scale source of oleyl bromide....
Privileged substructures for anti-sickling activity via cheminformatic analysis
Sickle cell disease (SCD), an autosomal recessive genetic disorder, has been recognized by the...
A Ligand-Based Approach to the Discovery of Lead-Like Potassium Channel KV1.3 Inhibitors
Voltage-gated ion channels are key molecular targets for autoimmune diseases such as multiple...
Analysis of the Frequency and Diversity of 1,3-Dialkylimidazolium Ionic Liquids Appearing in the Literature
The hypothetical assertion that there are potentially millions of ionic liquids (ILs) can be...
Structure Property Relationships of Carboxylic Acid Isosteres
The replacement of a carboxylic acid with a surrogate structure, or (bio)-isostere, is a classical...
Cascade Ligand- and Structure-Based Virtual Screening to Identify New Trypanocidal Compounds Inhibiting Putrescine Uptake
Chagas disease is a neglected tropical disease endemic to Latin America, though migratory movements...
Synthesis, molecular modelling studies and biological evaluation of new oxoeicosanoid receptor 1 agonists
The oxoeicosanoid receptor 1 (OXER1) is a member of the G-protein coupled receptors (GPCR) family,...
A Multi-Technique Investigation of a New Macroacyclic Schiff Base Ligand and its Cd(II), Zn(II) and Cu(II) Complexes
A new macroacyclic Schiff base, 1,3-bis(2((Z)-(hydroxyethylimino)methyl) phenoxy)propan-2-ol,...
A Structure- and Ligand-Based Virtual Screening of a Database of “Small” Marine Natural Products for the Identification of “Blue” Sigma-2 Receptor Ligands
Sigma receptors are a fascinating receptor protein class whose ligands are actually under clinical...
Optimization of pyrazole-containing 1,2,4-triazolo-[3,4-b] thiadiazines, a new class of STAT3 pathway inhibitors
Structure-activity relationship studies of a 1,2,4-triazolo-[3,4-b]thiadiazine scaffold, identified...
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...