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Table 3 Binding affinities of the 15 molecules used in AutoDock studies (kcal/mol)

From: Allergen fragrance molecules: a potential relief for COVID-19

 

BRD2

MPro

Mean

Lowest

Mean

Lowest

3-PROPYLIDENE PHTHALIDE

−6.65

− 6.66

− 5.64

− 5.65

BENZYL BENZOATE

− 6.73

− 6.87

− 6.22

− 6.36

BENZYL CINNAMATE

− 7.16

− 7.35

− 6.62

− 6.65

BENZYL SALICYLATE

− 6.40

− 6.81

− 6.07

−6.43

BETA CARYOPHYLLENE

−6.24

−6.24

− 6.38

−6.38

DIHYDROAMBRETTOLIDE

− 7.21

− 7.22

− 7.13

−7.14

GALAXOLIDE

−7.27

−7.27

− 7.07

−7.08

LYRAL

−5.91

−6.16

−6.07

− 6.48

SCLAREOL

−6.84

− 6.94

−8.06

− 8.89

VERTOFIX (ALPHA ACETYL CEDRENE)

− 6.32

− 6.40

−7.87

− 7.88

Artemisinin

−7.32

− 7.33

− 7.04

−7.04

Favipiravir

−4.77

− 4.83

−4.74

− 4.86

Hydroxychloroquine

−7.59

−7.74

− 6.51

−6.51

Nigellidine

−7.50

− 7.50

− 7.12

−7.12

Remdesivir

−9.34

−9.58

−7.73

−7.73