Table 4 Docking results of the principal compounds from O. majorana, L. usitatissimum, L. sativum, C. speciosus against 3SRW.
Compound name | PubChem ID | Binding affinity (Kcal/mol) | |
|---|---|---|---|
7-aryl-2,4-diaminoquinazolines (X27 168) | - | −6.098 | |
O. majorana | β-Caryophyllene | 5,281,600 | −13.169 |
c/s-Piperitol | 10,247,670 | −10.65 | |
Isorhamnetin | 5,281,654 | −10.516 | |
Luteolin-7-Oglucoside | 5,280,637 | −10.427 | |
Quercetin | 5,280,343 | −10.045 | |
Apigenin-O-glucuronide | 5,387,370 | −9.913 | |
L. sativum | Quercetin | 5,280,343 | −10.755 |
Kaempferol | 5,280,863 | −10.318 | |
7-Hydroxy-4′,5,6-trimethoxyisoflavone | 10,782,482 | −10.307 | |
Luteolin | 5,280,445 | −10.039 | |
6-prenylnaringenin | 155,094 | −10.06 | |
Apigenin | 5,280,443 | −9.593 | |
L. usitatissimum | Isoorientin | 114,776 | −10.004 |
Lucenin | 442,615 | −9.827 | |
Isovitexin | 162,350 | −9.491 | |
Vitexin | 5,280,441 | −9.402 | |
C. speciosus | Sitosterol | 222,284 | −7.404 |
Santamarine | 188,297 | −6.945 | |
Reynosin | 482,788 | −6.973 | |
Diosgenin | 99,474 | −6.744 |
