Phytochemicals from Selective Plants Have Promising Potential against SARS-CoV-2: Investigation and Corroboration through Molecular Docking, MD Simulations, and Quantum Computations

Table 3

Results of molecular docking of Remdesivir, Prulifloxacin, and Nelfinavir with helicase of SARS-CoV-2.

Sr. no	Compound name	Binding affinity (kcal/mol)	value (μM)	Interactions with helicase of SARS-CoV-2
1	Prulifloxacin	-8.1	1.138
2	Remdesivir	-6.8	10.234
3	Nelfinavir	-6.2	28.205