Conformational selection of vasopressin upon V1a receptor binding

Che, Kateryna; Muttenthaler, Markus; Kurzbach, Dennis

doi:10.1016/j.csbj.2021.10.024

Cited by 7 publications

(4 citation statements)

References 79 publications

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“…[49] Hydrodynamic radii were then extracted using the Stokes-Einstein law under the assumption of a spherical diffusion model. [50][51][52] Molecular Dynamics Simulations: Generally, the strategy outlined in Zoltan and Che et al [53][54][55] for simulating non-canonical peptides was followed to generate a starting structure: Structure prediction of the d-and l-blocks using PEPstrMOD, followed by the formation of the iso-peptide bond using the YASARA software package. [56] The resulting structures were then subject to energy minimization and simulated annealing in explicit solvent (atom speed < 2200 m s −1 ; 1% NaCl in water at pH 7.4 and 50 × 10 −3 m sodium phosphate).…”

Section: Methodsmentioning

confidence: 99%

Understanding Self‐Assembly of Silica‐Precipitating Peptides to Control Silica Particle Morphology

et al. 2023

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The most advanced materials are those found in nature. These evolutionary optimized substances provide highest efficiencies, e.g., in harvesting solar energy or providing extreme stability, and are intrinsically biocompatible. However, the mimicry of biological materials is limited to a few successful applications since there is still a lack of the tools to recreate natural materials. Herein, such means are provided based on a peptide library derived from the silaffin protein R5 that enables rational biomimetic materials design. It is now evident that biomaterials do not form via mechanisms observed in vitro. Instead, the material's function and morphology are predetermined by precursors that self‐assemble in solution, often from a combination of protein and salts. These assemblies act as templates for biomaterials. The RRIL peptides used here are a small part of the silica‐precipitation machinery in diatoms. By connecting RRIL motifs via varying central bi‐ or trifunctional residues, a library of stereoisomers is generated, which allows characterization of different template structures in the presence of phosphate ions by combining residue‐resolved real‐time NMR spectroscopy and molecular dynamics (MD) simulations. Understanding these templates in atomistic detail, the morphology of silica particles is controlled via manipulation of the template precursors.

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Section: Methodsmentioning

confidence: 99%

Understanding Self‐Assembly of Silica‐Precipitating Peptides to Control Silica Particle Morphology

et al. 2023

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“…AVP acts through three different vasopressin receptors (78): V 1a , V 1b and V 2 receptors, all of which belong to different isoforms of G protein-coupled receptors (79). A previous study has demonstrated that V 1a is the most abundant and widely distributed vasopressin receptor (80). V 1a -knockout mice show a significant reduction in anxious behavior but also severely impaired social cognition performance (81,82).…”

Section: Mechanism Of Actionmentioning

confidence: 99%

Pharmacological properties and underlying mechanisms of aurantio‑obtusin (Review)

Liu

Sun

et al. 2023

Exp Ther Med

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Herbal medicine has been widely applied for a range of diseases in China since antiquity. Cassia obtusifolia L. and Cassia tora L. are plants whose seeds have high reported medicinal values and have been documented to function as a laxative, to lower lipid level and to lower blood pressure. The main active ingredient in Cassia seeds is aurantio-obtusin (AO), which is an anthraquinone monomer compound. Currently, AO is listed in China as a quality control index component of Cassia seeds. In clinical practice in China, AO is typically used to treat obesity, diabetes and its complications, non-alcoholic fatty liver disease and allergic reactions. In addition, AO has been reported to confer insecticidal activities and antimalarial effects. Previous studies have even suggested that AO is a potential therapeutic candidate for a variety of diseases with research value. Therefore, the present review summarizes and discuss the existing literature on AO to provide a review of its pharmacological activity and mechanism of action, with the aim of providing a basis for its development and utilization in a clinical setting.

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“…Molecular dynamics (MD) simulations that stand on the static crystal structure can predict atomic-level motion and capture the dynamic information of conformational transitions [37] , [38] , [39] , [40] , [41] , [42] , [43] , [44] , [45] , [46] , [47] , [48] , [49] , [50] , [51] , [52] . As a result of computation and algorithmic promotion, MD simulations have become an important source of complementary information in crystallography and a primary tool for mechanism research [53] , [54] , [55] , [56] , [57] , [58] , [59] , [60] , [61] , [62] , [63] , [64] , [65] .…”

Section: Introductionmentioning

confidence: 99%

Delineating the activation mechanism and conformational landscape of a class B G protein-coupled receptor glucagon receptor

Wang

Liang

et al. 2022

Computational and Structural Biotechnology Journal

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Conformational selection of vasopressin upon V1a receptor binding

Abstract: Graphical abstract

Cited by 7 publications

References 79 publications

Understanding Self‐Assembly of Silica‐Precipitating Peptides to Control Silica Particle Morphology

Understanding Self‐Assembly of Silica‐Precipitating Peptides to Control Silica Particle Morphology

Pharmacological properties and underlying mechanisms of aurantio‑obtusin (Review)

Delineating the activation mechanism and conformational landscape of a class B G protein-coupled receptor glucagon receptor

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