Chemaxon blog

12 09 2019
2 minutes

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...

12 09 2019
< 1 minute

Structure Property Relationships of Carboxylic Acid Isosteres

The replacement of a carboxylic acid with a surrogate structure, or (bio)-isostere, is a classical...

12 09 2019
< 1 minute

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...

12 09 2019
< 1 minute

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,...

12 09 2019
< 1 minute

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,...

12 09 2019
< 1 minute

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...

12 09 2019
< 1 minute

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...

12 09 2019
< 1 minute

Comparative Evaluation of Covalent Docking Tools

Increased interest in covalent drug discovery led to the development of computer programs...

12 09 2019
< 1 minute

Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy

In humans, eight 5'-nucleotidases catalyze the hydrolysis of nucleoside 5'-monophosphates into...

12 09 2019
< 1 minute

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...

12 09 2019
< 1 minute

QSAR Modeling of Tox21 Challenge Stress Response and Nuclear Receptor Signaling Toxicity Assays

The ability to determine which environmental chemicals pose the greatest potential threats to human...

12 09 2019
< 1 minute

Emerging Fluorescent Molecular Tracers to Guide Intra-Operative Surgical Decision-Making

Fluorescence imaging is an emerging technology that can provide real-time information about the...