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Updated: Jun 2, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Rational design strategies for innovative small-molecule scaffolds inspired by three pivotal protein secondary
Jeong Yeon Yoo1, Chanwoo Kim1, Ji Hoon Kwon1
1Department of Chemistry, CRI Center for Chemical Proteomics, Seoul National University, Seoul 08826, Korea. sbpark@snu.ac.kr.
Abstract:
We developed a design strategy focusing on pivotal secondary structural motifs-α-helix, β-strand, and β-turn-critical for PPI recognition, using a common core skeleton. The resulting peptide-inspired pyrimidodiazepine scaffolds were further subjected to comprehensive phenotypic screening to evaluate their efficacy. Our strategy offers a transformative approach to developing small-molecule PPI modulators with broad therapeutic potential.
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