Table. 3.

Calculated binding energies (G and ΔG) and their torsional angles (ΦT and ΦP) for the top seven compounds in the presence of Flu A vRNA with extended primer that are active against influenza-A virus replication using TCA precipitation assay

Compounds	IUPAC name	ΦT	ΦP	G Kcal/mol	ΔG Kcal/mol	IC25 (µM)	IC50 (µM)
1	Cyanine 3-Aminoallylcytidine-5′-Triphosphate	−144.2	133.8	−23.4	7.6	0.03	1.69
2	Cyanine 7-Aminoallyluridine-5′-Triphosphate	−172.9	56.4	−26.1	10.3	0.88	3.58
3	Cyanine 5-5-Propargylamino-2′-deoxycytidine-5′-Triphosphate	−149.9	128.7	−25.6	9.8	0.68	2.13
4	Desthiobiotin-6-Aminoallyl-2′-deoxycytidine-5′-Triphosphate	174.8	153.8	−17.4	1.6	0.06	0.21
5	N4-Biotin-OBEA-2′-deoxycytidine-5′-Triphosphate	131.7	174.5	−21.6	5.8	0.02	0.09
6	P1, P5-Di(adenosine-5′) Penta phosphate	152.1	60.9	−26.0	10.2	0.03	0.09
7	5′-Dimethoxytrityl-2′-tosyl-N2-isobutyryl-guanosine	−94.6	−46.5	−14.3	−1.5	0.25	0.68

ΔG = G (+ve control, −15.8 Kcal/Mol)—G (drug)