Nano‐ and micro‐structure tin (IV) complexes bearing 4‐pyridinecarbacylamidophosphate: Sonochemical synthesis, crystal structure, anti‐cholinesterase activity, and docking studies

Abstract

Two di‐ and triorganotin (IV) complexes, Sn (CH 3 ) 2 Cl 2 (4‐PCAPh) 2 ( C 1 ) and Sn(C 6 H 5 ) 3 Cl(4‐PCAPh) ( C 2 ); {4‐PCAPh = 4‐NC 5 H 4 C(O)NHP(O)(C 6 H 12 N) 2 }, have been synthesized and characterized by elemental analysis, 1 H, 13 C, 31 P NMR and IR spectroscopy. The crystal structure of C 1 has been confirmed by X‐ray crystallography, which reveals an octahedral geometry surrounding Sn (IV). Both ligands function in an all‐trans conformation, with an N ‐ligated mode for 4‐PCAPh. Also, the complexes were prepared at nano‐ ( Ć 1 ) and micro‐size ( Ć 2 ) by the sonochemical process. The role of reaction solvent and the concentration of initial reactants on the size and morphology of particles were studied and the products were characterized by X‐ray powder diffraction (XRPD) and scanning electron microscopy (SEM). The activities and mechanism of complexes C 1 , C 2 , Ć 1 , Ć 2 and their corresponding ligand ( L ) on cholinesterase (ChE) were evaluated using a modified Ellman's method and Lineweaver‐Burk plots. Nanosheet Ć 1 showed the best activity against AChE and BChE with the IC 50 values being 73.08 ± 0.12 μM and 122.48 ± 0.69 μM, respectively, and the mixed‐type mechanism. Molecular modeling simulation revealed the binding interaction template for Sn (CH 3 ) 2 Cl 2 (4‐PCAPh) 2 with the ChE.