G protein–coupled receptors (GPCRs) constitute the largest family of membrane proteins in
the human genome and are important therapeutic targets. During the last decade, the …

Molecular docking is a computational method for predicting the placement of ligands in the
binding sites of their receptor (s). In this review, we discuss the methodological …

The primary goal of rational drug discovery is the identification of selective ligands which act
on single or multiple drug targets to achieve the desired clinical outcome through the …

Studying disease models at the molecular level is vital for drug development in order to
improve treatment and prevent a wide range of human pathologies. Microbial infections are …

The rapid growth of structural information for G-protein-coupled receptors (GPCRs) has led
to a greater understanding of their structure, function, selectivity, and ligand binding …

A long evolution of knowledge of the psychostimulant caffeine led in the 1960s to another
purine natural product, adenosine and its A2A receptor. Adenosine is a short‐lived …

In the last 20 years, Fragment-Based Drug Discovery (FBDD) has established itself as a key
approach for finding high-quality lead candidates [1]. Two drugs on the market today …

Key to the fragment optimisation process within drug design is the need to accurately
capture the changes in affinity that are associated with a given set of chemical modifications …

Membrane proteins have diverse functions within cells and are well-established drug
targets. The advances in membrane protein structural biology have revealed drug and lipid …

The growing number of studies on G protein-coupled receptors (GPCRs) family are a source
of noticeable improvement in our understanding of the functioning of these proteins. GPCRs …