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Updated: Aug 23, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Identification of structurally diverse growth hormone secretagogue agonists by virtual screening and
Miyuki Shoda1, Takeo Harada, Yuji Kogami
1Laboratory for Medicinal Chemistry, Institute for Life Science Research, Asahi Kasei Pharma, 632-1 Mifuku, Ohito, Tagata, Shizuoka, Japan.
Abstract:
Two molecules with known growth hormone secretagogue (GHS) agonist activity were used as templates to computationally screen approximately 80000 compounds. A total of 108 candidate compounds were selected, and five of them were found to be active in the low-micromolar range in both cell-based and direct binding assays. These compounds were structurally diverse and significantly differed from known GHS agonists. The most active compound was subjected to SAR evaluation, which slightly increased its potency and identified molecular regions important for specific GHS agonist activity.
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