Ontology highlight
ABSTRACT:
SUBMITTER: Deganutti G
PROVIDER: S-EPMC8427520 | biostudies-literature | 2021
REPOSITORIES: biostudies-literature
Deganutti Giuseppe G Atanasio Silvia S Rujan Roxana-Maria RM Sexton Patrick M PM Wootten Denise D Reynolds Christopher A CA
Frontiers in molecular biosciences 20210826
Class B1 G protein-coupled receptors (GPCRs) are important targets for many diseases, including cancer, diabetes, and heart disease. All the approved drugs for this receptor family are peptides that mimic the endogenous activating hormones. An understanding of how agonists bind and activate class B1 GPCRs is fundamental for the development of therapeutic small molecules. We combined supervised molecular dynamics (SuMD) and classic molecular dynamics (cMD) simulations to study the binding of the ...[more]