Abstract 2473 Leveraging the Privileged Pyridazine Chemotype Using Informatics and Structure Assisted Fragment Expansion for CNS Protein Kinase Inhibitor Design: A Bench to Clinic Case Study
Diazines such as pyrimidine, pyrazine and pyridazine are chemotypes frequently found as the core of biologically important small molecules in nature and synthetic chemistry development of pharmaceuticals, agrochemicals and biomaterials. Due to the diversity of biological and material science functions generated by comparably simple modifications of the pyridazine ring, it is considered a privileged chemotype. The diverse phenotypes inherent in privileged chemotypes is both a strength for innovation science and a potential challenge for generating functional selectivity.
Authors
- J.S. Brunzelle (ORCID: https://orcid.org/0000-0001-9197-0018)
- Ottavio Arancio (ORCID: https://orcid.org/0000-0001-6335-164X)
- G. Minasov (ORCID: https://orcid.org/0000-0001-5460-3462)
- L. Shuvalova (ORCID: https://orcid.org/0000-0003-1702-6998)
- Saktimayee M. Roy (ORCID: https://orcid.org/0000-0001-9096-0491)
- D. Martin Watterson (ORCID: https://orcid.org/0000-0001-7605-5866)
Publication Details
- Journal
- Journal of Biological Chemistry
- Published
- 2025-05-01
- DOI
- https://doi.org/10.1016/j.jbc.2025.109070
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00