Molecular Docking Study of Novel COVID-19 Protease with Low Risk Terpenoides Compounds of Plants

Abstract

<p><b><i>Background</i></b> :Due to the reported high ability of virulence of COVID_19 in recent months, several studies have been conducted to discover and introduce COVID_19 antiviral drugs. The results of numerous studies have shown that protease inhibitors and compounds, which make up the major part of plant derivatives, especially terpenoids, can therefore be very effective in controlling virus-induced infection. The aim of this research is the bioinformatical study of COVID_19 inhibition by terpenoids of plant origin. </p> <p><b><i>Materials and Methods</i></b>: This is a descriptive-analytic study. In the present study , the structure of terpene comounds and COVID_19 protease was received from the databases such as PubChem and Protein Data Bank (PDB). After that, molecular docking was performed by MVD(molegro virtual docker) software.</p> <p><b><i> Results</i></b>: The results are identified to have inhibitory activities against novel COVID-19 protease. Of these compounds, Ginkgolide A has a stronger bond and high affinity with protease</p> <p><b><i>Conclusion</i></b>: Finally, with due attention to the high effectiveness function of terpenoids, we can conclude that these compounds may be considered as effectire COVID_19 antiprotease drugs</p>