Design, Synthesis, X‑ray Structures of the New Coumarin Derivatives and Perspectives of Binding Them to Albumin and Vitamin K Epoxide Reductase Complex Subunit 1

A series of new coumarin derivatives with a di- or trimethoxybenzylamine moiety in the C-3 position were synthesized. The structures of all obtained compounds were characterized by IR, 1H NMR, MS, and elemental analysis. Two structures of coumarin were determined by X-ray crystallography. Hirshfeld surface analysis was employed in order to study intermolecular hydrogen bonds and other interactions. The structures of the other derivatives were modeled and optimized computationally. The binding of the new synthesized compounds into albumin structure and vitamin K epoxide reductase complex subunit 1 model is shown using molecular docking methods.