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

New nickel(ii) Schiff base complexes as potential tools against SARS-CoV-2 Omicron target proteins: an in silico approach

“…The ADMET results of the synthesized complexes were compared with that of chloroquine (CQ) and hydroxychloroquine (HCQ) as antivirus drugs reported in the literature. 74 The comparative results of the pharmacokinetics and chemoinformatics properties of the new Schiff base nickel(II) complexes (1) and ( 2) are summarized in Table S3 and S4 (ESI †). 2) were found to be À4.175 and À3.221 cm À1 , indicating their low skin permeability.…”

A phenoxy-bridged trinuclear Ni(ii) complex: synthesis, structural elucidation and molecular docking with viral proteins

“…58 The binding energy of the trinuclear Ni( ii ) complex [Ni 3 (μ-L) 2 (bipy) 3 ]( 1 ) is also comparable to that of metal complexes reported. 30–33…”

“…The binding energy of the trinuclear Ni( ii ) complex [Ni 3 (μ-L) 2 (bipy) 3 ]( 1 ) is also comparable to that of metal complexes reported. 28,30–33 A structure–activity relationship (SAR) has been established between the experimental geometry of the trinuclear Ni( ii ) complex [Ni 3 (μ-L) 2 (bipy) 3 ]( 1 ) determined by X-ray crystallography and the theoretical geometry observed upon interaction with the receptor binding domain (RBD) from SARS-CoV-2 (PDB ID: ), Omicron BA.3 variant spike (PDB ID: ), and HIV protease (PDB ID: ) viruses which showed a good structure–property relationship (Table S1, ESI†). We have concluded that the trinuclear Ni( ii ) complex [Ni 3 (μ-L) 2 (bipy) 3 ]( 1 ) is more effective specifically against SARS-CoV-2 than against the Omicron BA.3 variant spike and HIV protease viruses.…”

“…20,21 A large number of Schiff base metal complexes had been reported to inhibit the receptor protein of the SARS-CoV-2 and Omicron spike protein. 22–27 Additionally, in view of the above reported novel applications and based on our good experience on Schiff base metal( ii ) complexes as potential antivirus drug candidates against SARS-CoV-2, Omicron virus and HIV virus, 28–33 herein, we propose design strategies for the synthesis and characterization of a Ni( ii ) coordination complex [Ni 3 (μ-L) 2 (bipy) 3 ]( 1 ) containing phenoxy-bridged (H 3 L) and bidentate (bipy) chelating ligands as a promising drug candidate for the inhibition of the SARS-CoV-2, Omicron variant and HIV-1 protease virus.…”

Organometallic gold (III) and platinum (II) complexes with thiosemicarbazone: Structural behavior, anticancer activity, and molecular docking

“…[9][10][11] Despite the success of cisplatin, substitute analogs should be evaluated to avoid side effects from cancer treatment. [12][13][14][15] Thiosemicarbazones are Schiff bases broadly known for their pharmacological potential and studied for their antibacterial, [16,17] antiviral, [18,19] antimalarial, [20] and antitumoral [21,22] activities. Due to the presence of various electronic-pair donating heteroatoms in their structures the thiosemicarbazones can coordinate with different metals, including gold, platinum, and palladium resulting in complexes with particular characteristics of strong biological relevance.…”