Ternary complexes of vanadium(IV) and titanium(IV) of Schiff bases as primary ligand: Synthesis, spectral characterization, biomedical applications, and molecular docking with SARS‐CoV‐2 Mpro

Ternary complexes of vanadium(IV) and titanium(IV) containing macrocyclic chelate ring were synthesized from dibasic tetra‐dentate Schiff bases as primary (LH2) and succinic acid (SA) as secondary ligand. Their stable formation was confirmed on the basis of spectro‐analytical evidences and octahedra...

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Bibliographic Details
Published in:Journal of the Chinese Chemical Society 2022-04, Vol.69 (4), p.703-716
Main Authors: Uddin, Mohammad Nasir, Begum, Sajeda, Akter, Jebunnisa, Ahmed, Sayeda Samina, Rahman, Md. Saifur, Shumi, Wahhida
Format: Article
Language:English
Subjects:
antioxidant activity
Antioxidants
Biocompatibility
Biomedical materials
Bis‐Schiff bases
Chemical synthesis
coronavirus (SARS‐CoV‐2)
Imines
Ligands
Microorganisms
Molecular docking
Quantum mechanics
Severe acute respiratory syndrome coronavirus 2
Succinic acid
ternary complexes
Titanium
Vanadium
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Summary:Ternary complexes of vanadium(IV) and titanium(IV) containing macrocyclic chelate ring were synthesized from dibasic tetra‐dentate Schiff bases as primary (LH2) and succinic acid (SA) as secondary ligand. Their stable formation was confirmed on the basis of spectro‐analytical evidences and octahedral geometry has been proposed for mononuclear ternary complexes, [M(L)SA] (M = Ti4+, V4+). The proposed structure of the complexes has been optimized by quantum mechanical calculations. Some of the complexes have good antioxidant property and considerable inhibition capacity against selected pathogenic microorganisms. Molecular docking of a ligand against SARS‐CoV‐2 main protease (6 LU7) revealed binding affinity comparable to chloroquine used as standard. The ADMET analysis showed that it is noncarcinogenic and less toxic indicating as good candidate against SARS‐CoV‐2 infection. Vanadium(IV) and titanium(IV) ternary complexes of Schiff bases containing macrocyclic chelate ring have been synthesized. They have considerable inhibition capacity against pathogenic microorganisms and showed good antioxidant property. One of the ligands showed the stronger binding affinity against SARS Cov‐2 and ADMET analysis proved them to be non‐carcinogenic indicating as potential inhibitor against SARS‐CoV‐2.
ISSN:0009-4536
2192-6549
DOI:10.1002/jccs.202100319