Table. 2.

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 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	−165.2	68.3	−27.2	5.2	0.03	1.69
2	Cyanine 7-Aminoallyluridine-5′-Triphosphate	141.9	−43.9	−25.6	3.6	0.88	3.58
3	Cyanine 5-5-Propargylamino-2′-deoxycytidine-5′-Triphosphate	−162.0	127.6	−27.3	5.3	0.68	2.13
4	Desthiobiotin-6-Aminoallyl-2′-deoxycytidine-5′-Triphosphate	−176.7	156.6	−19.9	−2.1	0.06	0.21
5	N4-Biotin-OBEA-2′-deoxycytidine-5′-Triphosphate	144.0	−172.3	−22.2	0.2	0.02	0.09
6	P1, P5-Di(adenosine-5′) Penta phosphate	−177.1	−135.2	−21.5	−0.5	0.03	0.09
7	5′-Dimethoxytrityl-2′-tosyl-N2-isobutyryl-guanosine	−122.7	8.7	−24	2	0.25	0.68

ΔG = G (+ve control, −16 Kcal/Mol)—G (drug)