Synthesis of Two Novel Copper (II) Complexes as Potential Inhibitors of HIV-1 Protease Enzyme: Experimental and Theoretical Investigations

In this study, we report the synthesis of two new copper complexes: [Cu(C11H7O2)(SCN)(C10H8N2)], denoted as (C-1), and [Cu(C11H7O2) (C12H8N2) Cl]·H2O, (C-2). They are based on 2,2′-bipyridine or 1,10-phenanthroline 2-hydroxy-1-naphtaldehyde ligands. The obtained complexes were characterized by FT-IR, UV-visible spectroscopy, single-crystal X-ray diffraction analysis. Molecular docking was employed to predict binding mode involved in interaction between synthetic (II) HIV-1 protease enzyme. structural analysis revealed that crystal structures both mainly stabilized several intra- intermolecular hydrogen bonds. fingerprint plots associated with Hirshfeld surfaces clearly show H···H interactions provide largest contributions. According results, synthesized exhibit promising features which enable them be bound HIV-protease