G protein–coupled receptors (GPCRs) are important therapeutic targets that exhibit
functional selectivity (biased signaling), in which different ligands or receptor variants elicit …

The angiotensin II (Ang II) type 1 and type 2 receptors (AT1R and AT2R) orchestrate an
array of biological processes that regulate human health. Aberrant function of these …

The octapeptide hormone angiotensin II is one of the most studied peptides with the aim of
designing and synthesizing non-peptide mimetics for oral administration. To achieve this …

Angiotensin II (Ang II) may contain a charge relay system (CRS) involving
Tyr/His/carboxylate, which creates a tyrosinate anion for receptor activation. Energy …

Diminazene aceturate (DIZE) is a putative angiotensin-converting enzyme 2 (ACE2)
activator and angiotensin type 1 receptor antagonist (AT1R). Its simple chemical structure …

Introduction Hyperhomocysteinemia (HH cy) impairs nitric oxide endothelium‐dependent
vasodilation, consequently leading to atherosclerosis, a risk factor for cardiovascular …

Molecular dynamics simulation is a powerful technique for studying the structure and
dynamics of biomolecules in atomic-level detail by sampling their various conformations in …

We present a succession of structural changes involved in hormone peptide activation of a
prototypical GPCR. Microsecond molecular dynamics simulation generated conformational …

This study is an extension of current research into a novel class of synthetic antihypertensive
drugs referred to as “bisartans”, which are bis-alkylated imidazole derivatives bearing two …

The drug: membrane interactions for the antihypertensive AT1 antagonist losartan, the
prototype of the sartans class, are studied herein using an integrated approach. The …