Şukriye Çakmak

Discovery of a Novel Privileged Acrylamide Scaffold as a Potent HSP90 Inhibitor: Synthesis, Crystal Structure, DFT Investigation, Molecular Docking, Dynamics Simulations, and ADMET Properties

Crystallographic analysis revealed that non‐covalent interactions, particularly C─H⋯O contacts, contribute to the stabilization of the crystal packing and provide a basis for the rational design and further development of potential HSP90 inhibitors.