STRUCTURAL COMPLEXATION OF SARS-COV-2 SPIKE GLYCOPROTEIN: BIOTECHNOLOGICAL POTENTIAL OF NATURAL TERPENES

Compounds exhibiting potent antiviral activity against the novel coronavirus remain insufficiently understood, posing significant challenges in the development of effective therapeutic interventions. Among various classes of bioactive molecules, terpenes represent a promising group of natural compounds with diverse and extensive antiviral properties. This study aims to explore, through advanced in silico approaches, the antiviral potential of four specific terpenes-α-bisabolol, citral, cis-jasmone, and eucalyptol-against the spike glycoprotein of the SARS-CoV-2 virus. To this end, molecular docking simulations were employed to assess the interaction between these terpenes and the spike protein, with the goal of determining the capacity of these compounds to form stable complexes that might interfere with the viral entry process. The results from this computational analysis, encompassing chemical, spatial, and energetic data, indicate that these four terpenes possess the ability to bind effectively to the spike glycoprotein, thereby potentially stabilizing this crucial protein. Such stabilization could impair the viruss ability to interact with host cell receptors, providing a molecular mechanism by which these terpenes may hinder viral entry. These findings support the hypothesis that the complexation of terpenes with the spike glycoprotein serves as a promising strategy to obstruct the viruss capacity to invade host cells, offering valuable insights for the design of novel antiviral agents targeting SARS-CoV-2.