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. 2023 Jul 11;14:1206872. doi: 10.3389/fmicb.2023.1206872

Table 2.

Molecular docking/binding energy score for all derivatives represented.

Sl. No. PubChem CID Chemical structure Lassa virus glycoprotein spike (PDB ID 5FT2) Lassa virus nucleoprotein (PDB ID 3MX5)
Binding affinity (kcal/mol) Binding affinity (kcal/mol)
01 Evodiamine graphic file with name fmicb-14-1206872-i0001.jpg −7.2 −10.7
02 49806754 graphic file with name fmicb-14-1206872-i0002.jpg −7.4 −9.1
03 49806624 graphic file with name fmicb-14-1206872-i0003.jpg −8.3 −9.7
04 49806625 graphic file with name fmicb-14-1206872-i0004.jpg −8.5 −11.0
05 49806500 graphic file with name fmicb-14-1206872-i0005.jpg −8.1 −9.8
06 129710532 graphic file with name fmicb-14-1206872-i0006.jpg −1.7 −2.0
07 151289 graphic file with name fmicb-14-1206872-i0007.jpg −7.8 −10.6
08 56967508 graphic file with name fmicb-14-1206872-i0008.jpg −7.2 −9.4
09 49804912 graphic file with name fmicb-14-1206872-i0009.jpg −8.3 −10.3
Standard Sofosbuvir graphic file with name fmicb-14-1206872-i0010.jpg −5.9 −7.1