Computer-Aided Design of Peptide Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase: Combined Molecular Docking and Molecular Dynamics Simulation

    August 2023 in “ Molecules ”
    Jing Cui, Yongwei Feng, Ting Yang … Heng Tang
    Studysummary This study found that the peptides RMYYY and VMYMI displayed stronger binding energy and more frequent interactions with HPGDS compared to the native inhibitor, suggesting potential as future therapeutic drugs.
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    Research cited in this study 2

    1. Expression Level of Prostaglandin D2 Receptor 2 Regulates Hair Regression Journal of Investigative Dermatology · 2019
    2. Prostaglandin D2 Inhibits Hair Growth and Is Elevated in Bald Scalp of Men with Androgenetic Alopecia Science Translational Medicine · 2012