AUTHOR=Choi Yoona , Lee Subin , Kim Heejun , Park Seung Bum 

TITLE=Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation

JOURNAL=Frontiers in Chemistry

VOLUME=10

YEAR=2022

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2022.841250

DOI=10.3389/fchem.2022.841250

ISSN=2296-2646

ABSTRACT=<p>The rigidity and flexibility of small molecules are complementary in 3-dimensional ligand-protein interaction. Therefore, the chemical library with conformational diversity would be a valuable resource for investigating the influence of skeletal flexibility on the biological system. In this regard, we designed and synthesized ten conformationally diverse pyrimidine-embedded medium/macro- and bridged cyclic scaffolds covering 7- to 14-member rings <italic>via</italic> an efficient skeletal transformation strategy. Their high conformational and shape diversity was confirmed by chemoinformatic analysis.</p>