CPRiL

5 Functional Relationships(s) Download
	Sentence	Compound Name	Protein Name	Organism
1	The binding mechanism of ivermectin and levosalbutamol with spike protein of SARS-CoV-2.	Levalbuterol	surface glycoprotein	Severe acute respiratory syndrome coronavirus 2
2	In this study, we have investigated the binding mechanism of two FDA-approved drugs (ivermectin and levosalbutamol) with the spike protein of SARs-CoV-2 using three different computational modeling techniques.	Levalbuterol	surface glycoprotein	Severe acute respiratory syndrome coronavirus 2
3	Ivermectin binds with LEU492, GLN493, GLY496, and TRY505 residues in the spike protein through hydrogen bonds and levosalbutamol binds with TYR453 and TYR505 residues.	Levalbuterol	surface glycoprotein	Severe acute respiratory syndrome coronavirus 2
4	Using density functional theory (DFT) studies, we have calculated the binding energies between ivermectin and levosalbutamol with residues in spike protein which favor their binding are - 22.4 kcal/mol and - 21.08 kcal/mol, respectively.	Levalbuterol	surface glycoprotein	Severe acute respiratory syndrome coronavirus 2
5	Three different computer modeling techniques reveal that ivermectin is more stable than levosalbutamol in the active site of spike protein where hACE2 binds.	Levalbuterol	surface glycoprotein	Severe acute respiratory syndrome coronavirus 2