Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease

Abstract

Two novel copper(ii) Schiff base complexes, [Cu(L1)2] (1) and [Cu(L2)(CH3OH)(Cl)] (2) of [(Z)-(5-chloro-2-((3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)(phenyl)methanone (L1H) and (Z)-(2((5-bromo-2-hydroxybenzylidene)amino-5-chlorophenyl)(phenyl)methanone)(L2H)], have been designed, synthesized and characterized.

Design, synthesis and characterization of novel Ni(II) and Cu(II) complexes as antivirus drug candidates against SARS-CoV-2 and HIV virus

“…Furthermore, energy framework computational analysis has been explored for the better understanding the nature of intermolecular interaction energies between the pair of molecules with a 3-D graphical representation of their magnitude [59] . Figure 6 display the energy framework diagrams for (1) i.e.…”

“…(a) with hydrogen bond donor and acceptor meshes represented by light green and blue colors, respectively; (b) surface representation of hydrophobic pocket represented with purple and red colors. A structural activity relationship has been established [59] between the experimental bond lengths data of Ni(II) complex [Ni(L) 2 ]( 1 ) obtained from X-ray crystallography and bond lengths data obtained from molecular docking results with SARS-CoV-2 and HIV virus (Table S2). The structure-activity comparison shows good correlation between results obtained from experimental and theoretical methods.…”

A series of novel Cu-based MOFs: syntheses, structural diversity, catalytic properties and mimic peroxidase activity for colorimetric detection of H2O2

“…The Cu–O [1.946(37)–2.323(48) Å] and Cu–N [2.032(32)–2.034(33) Å] distances are well comparable to those of related copper derivatives. 37…”

Structure-based design and synthesis of copper(ii) complexes as antivirus drug candidates targeting SARS CoV-2 and HIV

“…57 The inhibitory results of the newly synthesized copper complexes [Cu(L 1 ) 2 ] (1) and [Cu(L 2 ) 2 ] (2) were also comparable with our previous work on copper complexes. 25,26,58 A relationship 58 was established between the experimental geometries of the newly synthesized copper complexes [Cu(L 1 ) 2 ] (1) and [Cu(L 2 ) 2 ] (2) determined by single crystal X-ray diffraction and the geometries observed upon interaction with the SARS-CoV-2 and HIV viruses. It can be seen that the bond lengths (Å) are well correlated with the docked copper complexes [Cu(L 1 ) 2 ] (1) and [Cu(L 2 ) 2 ] (2) inside the SARS-CoV-2 and HIV viruses and the experimental data obtained from the X-ray crystallography structure data (Table S2, ESI †).…”