Functional selectivity is the term that describes drugs that cause markedly different signaling
through a single receptor (eg, full agonist at one pathway and antagonist at a second). It has …

It has been widely recognised over the recent years that parallel modulation of multiple
biological targets can be beneficial for treatment of diseases with complex etiologies such as …

The recent progress in crystallography of G-protein coupled receptors opens an
unprecedented venue for structure-based GPCR drug discovery. To test efficiency of the …

The value of thoroughly understanding the thermodynamics specific to a drug
discovery/design study is well known. Over the past decade, the crucial roles of water …

Proteins of the G‐protein coupled receptor (GPCR) family present numerous attractive
targets for rational drug design, but also a formidable challenge for identification and …

Background: Adenosine is an endogenous purine nucleoside, which mediates a variety of
important biological processes and diseases, such as vasodilation, inflammation, cancer …

Interest in adenosine deaminase (ADA) in the context of medicine has mainly focused on its
enzymatic activity. This is justified by the importance of the reaction catalyzed by ADA not …

It is important to gain more insight into neurodegenerative diseases, because these
debilitating diseases can not be cured. A common characteristic of many neurological …

The importance of taking into account protein flexibility in drug design and virtual ligand
screening (VS) has been widely debated in the literature, and molecular dynamics (MD) has …

Adenosine modulates many aspects of human physiology and pathophysiology through
binding to the adenosine family of G protein-coupled receptors, which are comprised of four …