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 |
![]() |
−7.2 | −10.7 |
02 | 49806754 |
![]() |
−7.4 | −9.1 |
03 | 49806624 |
![]() |
−8.3 | −9.7 |
04 | 49806625 |
![]() |
−8.5 | −11.0 |
05 | 49806500 |
![]() |
−8.1 | −9.8 |
06 | 129710532 |
![]() |
−1.7 | −2.0 |
07 | 151289 |
![]() |
−7.8 | −10.6 |
08 | 56967508 |
![]() |
−7.2 | −9.4 |
09 | 49804912 |
![]() |
−8.3 | −10.3 |
Standard Sofosbuvir |
![]() |
−5.9 | −7.1 |