DATA AVAILABILITY : All data and software used in this study are available freely.
Ligand structural information is provided in the Supporting
Information. The pdb files containing active compound
dockings, MD systems’ starting conformations, conformations
after 1000 ns, topology files, and parameter files are provided
freely at zenodo.org with DOI: 10.5281/zenodo.10914093.
SUPPORTING INFORMATION : Details of compound structures (Figures S1 and S4),
dose−response analysis of GHRH activation of the
GHRHR in this model cell system (Figure S2),
structural superposition of homology and alphafold
models of GHRHR (Figure S3), and RMSD of MKJournal 04, MK04-06, and GHRHR 7TMD backbone (Figure
S5) (PDF)