Once we have downloaded the Omicron spike (a glycoprotein that protrudes from the envelope of some viruses, such as a coronavirus, and facilitates entry of the virion into a host cell by binding to a receptor on the surface of a host cell followed by fusion of the viral and host cell membranes), we have to download an enzyme inhibitor (a molecule that binds to an enzyme and decreases its activity).
________________Omicron spike____________________________________________Isopaeniflorin inhibitor_____________
For doing the docking, in other words a molecular modeling technique that is used to predict how a protein (enzyme) interacts with small molecules (ligands), use Swissdock.
When we obtain the molecular docking, we open with Chimera the file titled as "open.chimerax". A batch can be made (a batch job is a program that is assigned to the computer to run without further user interaction), so drag the file to the application. Then, look for the molecule that has the most energy, because that means it is the one that inhibits the omicron spike the best. In the case of isopaeniflorin, this is the molecular docking at the omicron spike which has the higher energy.
Comparing Ferulic Acid with another compound
Comparing energy of Ferulic Acid (C10H10O4) and Oxypaeoniflorin (C23H28O12) with a Student t-test to know which of them is better.
The Student t-test compares the mean of a data set (sample) of a new or modified assay to the sample mean of a reference assay.
A protein is formed from covid RNA. If you block its protease, which breaks down the protein in the lung cell, there is no virus. Doing so is the most logical thing to do, as we have tried to block the spike which can mutate as it has already happened with SARS-CoV-2.