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

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,...

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Detalles Bibliográficos
Autores principales: Choi, Yoona, Lee, Subin, Kim, Heejun, Park, Seung Bum
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9014854/
https://www.ncbi.nlm.nih.gov/pubmed/35444999
http://dx.doi.org/10.3389/fchem.2022.841250
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author Choi, Yoona
Lee, Subin
Kim, Heejun
Park, Seung Bum
author_facet Choi, Yoona
Lee, Subin
Kim, Heejun
Park, Seung Bum
author_sort Choi, Yoona
collection PubMed
description 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 via an efficient skeletal transformation strategy. Their high conformational and shape diversity was confirmed by chemoinformatic analysis.
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spelling pubmed-90148542022-04-19 Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation Choi, Yoona Lee, Subin Kim, Heejun Park, Seung Bum Front Chem Chemistry 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 via an efficient skeletal transformation strategy. Their high conformational and shape diversity was confirmed by chemoinformatic analysis. Frontiers Media S.A. 2022-04-04 /pmc/articles/PMC9014854/ /pubmed/35444999 http://dx.doi.org/10.3389/fchem.2022.841250 Text en Copyright © 2022 Choi, Lee, Kim and Park. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Chemistry
Choi, Yoona
Lee, Subin
Kim, Heejun
Park, Seung Bum
Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
title Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
title_full Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
title_fullStr Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
title_full_unstemmed Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
title_short Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
title_sort design and synthesis of conformationally diverse pyrimidine-embedded medium/macro- and bridged cycles via skeletal transformation
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9014854/
https://www.ncbi.nlm.nih.gov/pubmed/35444999
http://dx.doi.org/10.3389/fchem.2022.841250
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