Abstract

Shaju Kanimangalath Shanmughan¹, Bindu Thozhuthumparambil Krishnakutty^1*, Vinod Palayoor Raphael¹ and Joby Thomas Kakkasery²

DOI : http://dx.doi.org/10.13005/ojc/380105

The versatile behavior of many Schiff bases is due to the presence of the azomethine group. In this work, we synthesized a novel polynuclear Schiff base [ANHIS] derived from anthrone and histidine, characterized using spectroscopic tools, and evaluated its anti-corrosion and anti-viral potencies. Conventional weight-loss method, electrochemical impedance spectroscopic investigation (EIS), potentiodynamic polarization studies (Tafel), adsorption studies, and quantum chemical calculations were used to investigate the anticorrosion behavior. The result showed that the Schiff base interacted with the surface metal atoms and provides good protection to the carbon steel surface against corrosion in an acid medium. A mixed-type inhibitor action of ANHIS was discovered by Tafel plot analysis. A plausible mechanism of inhibition action is also anticipated. SEM analyses were carried out to explore the surface characteristics of the metal in the absence and presence of ANHIS. Drug likeness and ADMET properties of ANHIS were screened using online web servers. The preliminary IN SILICO pharmacokinetics and medicinal chemistry studies revealed that the molecule shows a very good drug-like property. The toxicity studies predict that it has less or no toxic behavior (carcinogenic in mice and non-carcinogenic in rats). The antiviral activity of the molecule was investigated on SARS-CoV-2(COVID-19 virus) using Autodock software. Docking studies showed that the polynuclear molecule ANHIS possessed hydrogen bonding, aromatic and hydrophobic interactions with the binding site of the main receptor of the COVID-19 virus. The docking score is comparable with the score value of anti- HIV drugs such as lopinavir and indinavir.

Carbon Steel; Corrosion inhibitors; Drug-likeness; Docking; Impedance; Schiff base

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