Kinases 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 the 3D structure-based and the 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 (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.
Participants can request a certificate of attendance to confirm their completion of the event to furthering their knowledge and skills in the specified subject matter.
