Published December 13, 2024 | Version v1

Data described in the article "Nutraceuticals silybin B, resveratrol, and epigallocatechin-3 gallate-bind to cardiac muscle troponin to restore the loss of lusitropy caused by cardiomyopathy mutations in vitro, in vivo, and in silico."

Description

Single [Ca2+] screen for recoupling
Many compounds re-couple many mutations.
Effects of dobutamine on cardiac myocyte contractility.
Lusitropy and the effect of small molecules measured in cardiomyocytes
Preferred structure of small molecules with atoms and rings labelled.
Comparison of the effects of EGCG and ECG on the distribution of helix A/B and interdomain angles.
CCPtraj analysis of ligand binding, ligand hotspots on representative structures, link to movies
snapshots from single 1500ns MD trajectories, 7500 total fram

Files

Data Sheet 1_Nutraceuticals silybin B, resveratrol, and epigallocatechin-3 gallate-bind to cardiac muscl.pdf

Additional details

Related works

Is part of
Journal article: 10.3389/fphys.2024.1489439 (DOI)

Funding

British Heart Foundation
RG/11/20/29266
British Heart Foundation
RE/13/4/30184
Wellcome Trust
108908/Z/15/Z
Ministry of Education Youth and Sports
Talking microbes – understanding microbial interactions within One Health framework (INTER-MICRO) CZ.02.01.01/00/22_008/0004597
British Heart Foundation
PG/18/68/33883