Design of peptide-based PAC1 antagonists combining molecular dynamics simulations and a biologically relevant cell-based assay.

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Bibliographic Details
Title: Design of peptide-based PAC1 antagonists combining molecular dynamics simulations and a biologically relevant cell-based assay.
Authors: Xu W; Section on Molecular Neuroscience, NIMH-IRP, Bethesda, MD, USA., Keith AM; Section on Molecular Neuroscience, NIMH-IRP, Bethesda, MD, USA., Ye W; Early Translation Branch, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Hu X; Early Translation Branch, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Southall N; Early Translation Branch, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Marugan JJ; Early Translation Branch, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Ferrer M; Early Translation Branch, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Henderson MJ; Early Translation Branch, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Sexton PM; Drug Discovery Biology Theme and ARC Centre for Cryo-electron Microscopy of Membrane Proteins, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia., Deganutti G; Centre for Health and Life Sciences, Coventry University, Coventry, UK., Eiden LE; Section on Molecular Neuroscience, NIMH-IRP, Bethesda, MD, USA. Electronic address: lee.eiden@nih.gov.
Source: Biochemical pharmacology [Biochem Pharmacol] 2025 Dec; Vol. 242 (Pt 2), pp. 117300. Date of Electronic Publication: 2025 Sep 03.
Publication Type: Journal Article; Research Support, N.I.H., Intramural; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Elsevier Science Country of Publication: England NLM ID: 0101032 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-2968 (Electronic) Linking ISSN: 00062952 NLM ISO Abbreviation: Biochem Pharmacol Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1873-2968
DOI:10.1016/j.bcp.2025.117300