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. 2021 Jan 21;21:41. doi: 10.1186/s12906-021-03214-4

Table 2.

Binding affinities of the 15 molecules used in flexible docking studies (kcal/mol)

BRD2 MPro
Lowest Mean SEM Lowest Mean SEM
3-PROPYLIDENE PHTHALIDE −6.7 − 6.63 0.07 − 7.0 − 6.83 0.09
BENZYL BENZOATE −8.1 −7.95 0.10 −6.3 −5.83 0.17
BENZYL CINNAMATE −8.3 −8.30 0.00 −6.8 −6.65 0.07
BENZYL SALICYLATE −8.1 −7.88 0.09 −6.9 −6.70 0.07
BETA CARYOPHYLLENE −7.4 − 7.40 0.00 −5.4 − 5.33 0.03
DIHYDROAMBRETTOLIDE −8.0 − 7.83 0.17 −7.1 −6.97 0.09
GALAXOLIDE −8.6 − 8.40 0.10 −7.4 −7.37 0.03
LYRAL −6.8 − 6.63 0.06 −6.7 −5.58 0.39
SCLAREOL −7.5 − 7.37 0.07 −8.0 −7.73 0.15
VERTOFIX (ALPHA ACETYL CEDRENE) −6.9 −6.77 0.09 −7.2 −7.00 0.12
Artemisinin −7.9 −7.75 0.09 −7.4 − 7.15 0.13
Favipiravir −6.0 −5.75 0.22 −6.0 − 5.50 0.30
Hydroxychloroquine −7.1 −6.85 0.10 −6.6 −6.30 0.12
Nigellidine −8.8 −8.50 0.18 − 8.3 −7.83 0.21
Remdesivir −8.9 −8.50 0.16 −8.4 − 8.10 0.18