scholarly journals Prediction of molecular interactions and physicochemical properties relevant for vasopressin V2 receptor antagonism

2022 ◽  
Vol 28 (2) ◽  
Author(s):  
Ania de la Nuez Veulens ◽  
Yoanna M. Álvarez Ginarte ◽  
Rolando E. Rodríguez Fernandez ◽  
Fabrice Leclerc ◽  
Luis A. Montero Cabrera
Keyword(s):  
Physicochemical Properties ◽  
Molecular Interactions ◽  
Receptor Antagonism ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor

scholarly journals Prediction of Molecular Interactions And Physicochemical Properties Relevant For Vasopressin V2 Receptor Antagonism

2021 ◽  
Author(s):  
Ania de la Nuez Veulens ◽  
Yoanna María Álvarez Ginarte ◽  
Rolando Eduardo Rodríguez Fernandez ◽  
Fabrice Leclerc ◽  
Luis Alberto Montero Cabrera
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Physicochemical Properties ◽  
Molecular Dynamics Simulations ◽  
Binding Mode ◽  
Qsar Model ◽  
Antagonist Activity ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor ◽  
Dynamics Simulations

Abstract We have developed two ligand and receptor-based computational approaches to study the physicochemical properties relevant to the biological activity of vasopressin V2 receptor (V2R) antagonist and eventually to predict the expected binding mode to V2R. The obtained Quantitative Structure Activity Relationship (QSAR) model showed a correlation of the antagonist activity with the hydration energy (EH2O) , the polarizability (P) and the calculated partial charge on atom N7 (q6) of the common substructure. The first two descriptors showed a positive contribution to antagonist activity, while the third one had a negative contribution. V2R was modeled and further relaxed on a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocoline (POPC) membrane by molecular dynamics simulations. The receptor antagonist complexes were guessed by molecular docking, and the stability of the most relevant structures were also evaluated by molecular dynamics simulations. As a result, amino acid residues Q96, W99, F105, K116, F178, A194, F307, and M311 were identified with the probably most relevant antagonist-receptor interactions on the studied complexes. The proposed QSAR model could explain the molecular properties relevant to the antagonist activity. The contributions to the antagonist-receptor interaction appeared also in agreement with the binding mode of the complexes obtained by molecular docking and Molecular Dynamics. These models will be used in further studies to look for new V2R potential antagonist molecules.

scholarly journals SuO023EFFECTS OF VASOPRESSIN V2 RECEPTOR ANTAGONISM ON THE PROGRESSION OF DIABETIC NEPHROPATHY IN MOUSE MODEL OF TYPE 2 DIABETES

2015 ◽  
Vol 30 (suppl_3) ◽  
pp. iii54-iii54
Author(s):  
Ray ElBoustany ◽  
Christopher Taveau ◽  
Catherine Chollet ◽  
Gilberto Velho ◽  
Lise Bankir ◽  
...  
Keyword(s):  
Type 2 Diabetes ◽  
Diabetic Nephropathy ◽  
Mouse Model ◽  
Receptor Antagonism ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor

Vasopressin-V2-Receptor Antagonism (Tolvaptan) as a Potential Treatment for Right Sided Heart Failure Refractory to Standard Therapy

2012 ◽  
Vol 18 (10) ◽  
pp. S162
Author(s):  
Atsutoshi Takagi ◽  
Katsumi Miyauti ◽  
Syouko Suda ◽  
Tetsurou Miyazaki ◽  
Hiroyuki Daita
Keyword(s):  
Heart Failure ◽  
Standard Therapy ◽  
Potential Treatment ◽  
Receptor Antagonism ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor

scholarly journals Polyuria due to vasopressin V2 receptor antagonism is not associated with increased ureter diameter in ADPKD patients

2016 ◽  
Vol 21 (3) ◽  
pp. 375-382 ◽  
Author(s):  
Niek F. Casteleijn ◽  
A. Lianne Messchendorp ◽  
Kyong T. Bae ◽  
Eiji Higashihara ◽  
Peter Kappert ◽  
...  
Keyword(s):  
Receptor Antagonism ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor

scholarly journals Detrimental Impact of Vasopressin V2 Receptor Antagonism in a SU5416/Hypoxia/Normoxia-Exposed Rat Model of Pulmonary Arterial Hypertension

2016 ◽  
Vol 80 (4) ◽  
pp. 989-997 ◽  
Author(s):  
Itaru Goto ◽  
Kaoru Dohi ◽  
Yoshito Ogihara ◽  
Ryuji Okamoto ◽  
Norikazu Yamada ◽  
...  
Keyword(s):  
Pulmonary Arterial Hypertension ◽  
Arterial Hypertension ◽  
Rat Model ◽  
Receptor Antagonism ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor ◽  
Pulmonary Arterial ◽  
Detrimental Impact

Evidence that atypical vasopressin V2 receptor in inner medulla of kidney is V1B receptor

2000 ◽  
Vol 401 (3) ◽  
pp. 289-296 ◽  
Author(s):  
Masayuki Saito ◽  
Atsuo Tahara ◽  
Toru Sugimoto ◽  
Kunitake Abe ◽  
Kiyoshi Furuichi
Keyword(s):  
Vasopressin V2 Receptor ◽  
V1b Receptor ◽  
V2 Receptor

Inhibition of renal cystic disease development and progression by a vasopressin V2 receptor antagonist

10.1038/nm935 ◽  
2003 ◽  
Vol 9 (10) ◽  
pp. 1323-1326 ◽  
Author(s):  
Vincent H Gattone ◽  
Xiaofang Wang ◽  
Peter C Harris ◽  
Vicente E Torres
Keyword(s):  
Receptor Antagonist ◽  
Disease Development ◽  
Cystic Disease ◽  
Renal Cystic Disease ◽  
Vasopressin V2 Receptor ◽  
V2 Receptor ◽  
Vasopressin V2 Receptor Antagonist ◽  
V2 Receptor Antagonist
Sign in / Sign up

Export Citation Format

Share Document