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.

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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
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article

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

J.S. Brunzelle, Ottavio Arancio, G. Minasov, L. Shuvalova et al.
Journal of Biological Chemistry
Computational Drug Discovery Methods
article

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

J.S. Brunzelle, Ottavio Arancio, G. Minasov, L. Shuvalova, Saktimayee M. Roy, D. Martin Watterson
article en

Abstract

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.

Journal of Biological ChemistryVol. 301(5)
Openalex Percentile: Top 85%
Computational Drug Discovery Methods
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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 — J.S. Brunzelle, Ottavio Arancio, et al. · Journal of Biological Chemistry (2025) | TGRS Research Map | TGRS