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Table 2 Docking score (S) and interaction sites of reported drugs against influenza virus nucleoprotein

From: Designing and screening of universal drug from neem (Azadirachta indica) and standard drug chemicals against influenza virus nucleoprotein

Sr. no.

Compound name (Abbreviation or Drug No.)

Score (S)

Nucleoprotein interacting residues

1

[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin- 1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol- 4-yl]methanone (OMS)

−24.9343

ARG305, ASN309

2

1H-1,2,3-triazole-4-carboxamide (CBX)

−24.0769

ARG305, ASN309

3

4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone (LGH)

−20.1668

TYR52, GLY288

4

(+)-(S)-2-(6-methoxynaphthalen-2-yl)-propanoic acid (Naproxen)

−16.7973

ARG99, TYR52, SER376

5

N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)- 5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin- 1-yl]-2-nitro-phenyl]thiophene-2-carboxamide (BMS-883559)

−16.0942

ASN309, TYR52

6

N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)- 5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin- 1-yl]-2-nitro-phenyl]pyridine-2-carboxamide (BMS-885838)

−8.5787

SER50, SER376