Table 1.

List of phytochemicals and drug molecules used for docking studies.

phytochemical	Canonical smiley	Molecular formula	Molecular weight (g/mol)
Curcumin	COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O	C₂₁H₂₀O₆	368.4
Ocimin	COC1=CC=C(C=C1)C=CCCC=CC2=CC=C(C=C2)OC	C₂₀H₂₂O₂	294.4
Flabelliferin B	CC(=O)C1=CC2(C(CC1O)C3(CCC4C(CCCC4(C3CC2OC(=O)C)C)(C)C)C)C	C₂₇H₄₂O₄	430.6
Marmelosin	CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	C₁₆H₁₄O₄	270.28
Leucoanthocyanin	C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O	C₁₅H₁₄O₈	322.27
Piperine	C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3	C₁₇H₁₉NO₃	285.34
Remdesivir (Positive Control)	CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4	C₂₇H₃₅N₆O₈P	602.6
Hydroxychloroquine (Positive Control)	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO	C₁₈H₂₆ClN₃O	335.9
Nelfinavir (Positive Control)	CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O	C₃₂H₄₅N₃O₄S	567.8