Background

The ongoing coronavirus disease 2019 (COVID-19) pandemic has caused over 508 million SARS-CoV-2 cases and six million deaths to date globally. As of now, the SARS-CoV-2 Omicron (B.1.1.529) variant is the dominant strain worldwide. Omicron was designated a variant of concern (VOC) since it can evade vaccine- and infection-induced immunity due to several mutations in its spike (S) protein, including 15 amino acid substitutions across the receptor-binding domain (RBD).

Recent studies indicate that many of the most widely used COVID-19 vaccinations offer little or no immunity against Omicron infection. To date, no specific therapeutic regimen for this VOC has been recommended. As a result, Omicron might jeopardize worldwide attempts to contain the COVID-19 pandemic by posing a public health risk.

About the study

The present paper aimed to profile seven phytochemicals (capsaicin, gingerol, allicin, curcumin, piperine, zingeberene, and cinnamaldehyde) and discover possible therapeutic options against the Omicron variant. The researchers built a three-dimensional layout of Omicron S RBD by integrating 15 amino acid alterations to the Native S structure. The team contrasted the structural changes of the Omicron S with the Native S. The authors docked the seven phytochemicals with the Omicron S-human angiotensin-converting enzyme 2 (hACE2) complex and the Omicron S protein.

In addition, a molecular dynamic (MD) simulation was run between the curcumin and Omicron S protein to assess the structural stability of the complex in a physiological setting. Further, the team compared the results to the control medication chloroquine and GR 127935 hydrochloride.

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