Integrated Computational Approach to Rational Drug Design Targeting SIK2/3: From Theory to Practice

Integrated Computational Approach to Rational Drug Design Targeting SIK2/3: From Theory to Practice

This study presents a comprehensive approach to designing and optimizing small molecule inhibitors targeting Salt-Inducible Kinases 2 and 3 (SIK2 and SIK3), crucial regulators of cellular signaling pathways implicated in various diseases, including cancer, inflammation, and metabolic disorders. By i...

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Bibliographic Details
Main Authors: Eid Youssef Eid Rashed, Alisa Gorislav
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Chemistry Proceedings
Subjects:
de novo drug design
fragment-based drug design
molecular docking
covalent docking
molecular dynamics
chemical language models
Online Access:https://www.mdpi.com/2673-4583/16/1/3
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