Workshop Kinase Ligand Design
10Kinases stand out as a popular focus in drug development. Their popularity is evident from the numerous FDA approvals granted to compounds targeting these specific proteins. The associated design process often integrates computational approaches such as molecular modeling and structure-based drug design, reflecting the dynamic and evolving landscape of kinase-targeted drug development.
This BioSolveIT workshop is dedicated to elucidating the basics of selective kinase inhibitor design, as well as the application of advanced techniques to optimize lead structures. Encompassing both 3D structure-based and 2D ligand-based realms, we will present and discuss several examples illustrating idea generation methods for hinge binders and the adjacent core regions. These methods will include fragment-based growing and evolution (FBDD), scaffold hopping, Chemical Space exploration involving trillions of possibilities, and various other strategies facilitated by BioSolveIT tools.
Drug discovery beginners, veterans, and medicinal chemistry enthusiasts are invited to join this highly informative workshop and the subsequent discussion.
Speaker: Dr. Alexander Neumann
Downloads:
SeesSAR: https://www.biosolveit.de/SeeSAR
infiniSee: https://www.biosolveit.de/infiniSee