[PDF][PDF] Update 1 of: computational modeling approaches to structure–function analysis of G protein-coupled receptors

F Fanelli, PG De Benedetti - Chemical Reviews-Columbus, 2011 - researchgate.net
Any aspect of cell activity is regulated by extracellular signals that are recognized, decoded,
and transduced inside the cell via different classes of plasma membrane receptors. 1À3 G …

Insights into the molecular evolution of oxytocin receptor ligand binding

J Koehbach, T Stockner, C Bergmayr… - Biochemical Society …, 2013 - portlandpress.com
The design and development of selective ligands for the human OT (oxytocin) and AVP
(arginine vasopressin) receptors is a big challenge since the different receptor subtypes and …

Disordered structural ensembles of vasopressin and oxytocin and their mutants

E Yedvabny, PS Nerenberg, C So… - The Journal of …, 2015 - ACS Publications
Vasopressin and oxytocin are intrinsically disordered cyclic nonapeptides belonging to a
family of neurohypophysial hormones. Although unique in their functions, these peptides …

A novel therapeutic effect of statins on nephrogenic diabetes insipidus

L Bonfrate, G Procino, DQH Wang… - Journal of cellular …, 2015 - Wiley Online Library
Statins competitively inhibit hepatic 3‐hydroxy‐3‐methylglutaryl‐coenzyme A reductase,
resulting in reduced plasma total and low‐density lipoprotein cholesterol levels. Recently, it …

Mutational basin-hopping: combined structure and sequence optimization for biomolecules

K Röder, DJ Wales - The Journal of Physical Chemistry Letters, 2018 - ACS Publications
The study of energy landscapes has led to a good understanding of how and why proteins
and nucleic acids adopt their native structure. Through evolution, sequences have adapted …

Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations

AI Uba, C Radicella, C Readmond, N Scorese, S Liao… - Life sciences, 2020 - Elsevier
Aims Non-peptide ligands of oxytocin receptor (OTR) have promising potentialities as
therapeutic agents with improved pharmacological properties. WAY-267,464 is a non …

Molecular Docking-Based Study of Vasopressin Analogues Modified at Positions 2 and 3 with N-Methylphenylalanine:  Influence on Receptor-Bound Conformations …

MJ Ślusarz, E Sikorska, R Ślusarz… - Journal of Medicinal …, 2006 - ACS Publications
In this study, four cyclic vasopressin (CYFQNCPRG-NH2, AVP) analogues substituted at
positions 2 and 3 with four combinations of enantiomers of N-methylphenylalanine have …

Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor …

MJ Ślusarz, A Giełdoń, R Ślusarz… - Journal of Peptide …, 2006 - Wiley Online Library
Abstract Vasopressin (CYFQNCPRG‐NH2, AVP) is a semicyclic endogenous peptide, which
exerts a variety of biological effects in mammals. The main physiological roles of AVP are …

Optical and Structural Properties of Copper− Oxytocin Dications in the Gas Phase

L Joly, R Antoine, F Albrieux, R Ballivian… - The Journal of …, 2009 - ACS Publications
We present a joint experimental and theoretical investigation of the structural and optical
properties of copper− oxytocin dications in the gas phase. Ion mobility and UV …

[HTML][HTML] Oxytocin-Gly-Lys-Arg: a novel cardiomyogenic peptide

BA Danalache, J Gutkowska, MJ Ślusarz… - PloS one, 2010 - journals.plos.org
Background Oxytocin (OT), synthesized in the heart, has the ability to heal injured hearts
and to promote cardiomyogenesis from stem cells. Recently, we reported that the OT-GKR …