Table. 4.

Calculated binding energies (G and ΔG) and their torsional angles (ΦT and ΦP) for the top seven compounds in the presence of Flu B 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	169.2	71.5	−30	8	0.03	1.69
2	Cyanine 7-Aminoallyluridine-5′-Triphosphate	168.6	61.6	−29.5	7.5	0.88	3.58
3	Cyanine 5-5-Propargylamino-2′-deoxycytidine-5′-Triphosphate	−159.2	98.2	−27.8	5.8	0.68	2.13
4	Desthiobiotin-6-Aminoallyl-2′-deoxycytidine-5′-Triphosphate	177.5	29.8	−21.0	−1.0	0.06	0.21
5	N4-Biotin-OBEA-2′-deoxycytidine-5′-Triphosphate	148.5	−173.4	−22.9	0.9	0.02	0.09
6	P1, P5-Di(adenosine-5′) Penta phosphate	172.8	−13.5	−24.0	2	0.03	0.09
7	5′-Dimethoxytrityl-2′-tosyl-N2-isobutyryl-guanosine	−91.1	−22.9	−21.5	−0.5	0.25	0.68

ΔG = G (+ve control, −13.9 Kcal/Mol)—G (drug)