“…Also, more the FMO energy gap, the molecule is less reactive and more stable which makes it harder and vice-versa [ 49 ]. Here the orbitals that were examined include HOMO and LUMO, which are thought to be the key orbitals involved in electron transfers in chemical reactions [ 50 , 51 ]. HOMO of the ligand is mainly located in one of the aromatic rings of the benzil and the C O–NH–N CH moiety of benzil and nicotinic hydrazide whereas in LUMO electron density move towards aromatic ring of the benzil, one of the pyridine rings of nicotinic hydrazide and to C O–NH–N CH moiety.…”
“…Also, more the FMO energy gap, the molecule is less reactive and more stable which makes it harder and vice-versa [ 49 ]. Here the orbitals that were examined include HOMO and LUMO, which are thought to be the key orbitals involved in electron transfers in chemical reactions [ 50 , 51 ]. HOMO of the ligand is mainly located in one of the aromatic rings of the benzil and the C O–NH–N CH moiety of benzil and nicotinic hydrazide whereas in LUMO electron density move towards aromatic ring of the benzil, one of the pyridine rings of nicotinic hydrazide and to C O–NH–N CH moiety.…”
“…11 displays the parameters representing the fascinating properties of the complex under discussion. The solubility, lipophilicity and other drug likeness parameters indicate biomedicinal properties linked with the complex [ 48 , 49 ] . Fig.…”
“…Density functional theory and results from experiments limited to establishing the compound’s structure have been found to have a positive association. The effectiveness of the Schiff base as a bioactive molecule has been demonstrated by molecular docking and antibacterial tests [ 57 , 58 ].…”
Emerging and re-emerging illnesses will probably present a new hazard of infectious diseases and have fostered the urge to research new antiviral agents. Most of the antiviral agents are analogs of nucleosides and only a few are non-nucleoside antiviral agents. There is quite a less percentage of marketed/clinically approved non-nucleoside antiviral medications. Schiff bases are organic compounds that possess a well-demonstrated profile against cancer, viruses, fungus, and bacteria, as well as in the management of diabetes, chemotherapy-resistant cases, and malarial infections. Schiff bases resemble aldehydes or ketones with an imine/azomethine group instead of a carbonyl ring. Schiff bases have a broad application profile not only in therapeutics/medicine but also in industrial applications. Researchers have synthesized and screened various Schiff base analogs for their antiviral potential. Some of the important heterocyclic compounds like istatin, thiosemicarbazide, quinazoline, quinoyl acetohydrazide, etc. have been used to derive novel Schiff base analogs. Keeping in view the outbreak of viral pandemics and epidemics, this manuscript compiles a review of Schiff base analogs concerning their antiviral properties and structural-activity relationship analysis.
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