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. 2020 Sep 14;6(9):e04895. doi: 10.1016/j.heliyon.2020.e04895

Table 2.

Molecular docking scores of isolated compounds from MEBJ. The values with Bold represent highest score.

Compounds Docking Score (kcal/mol)
3ERT (Cytotoxic) 4COF (Sedative) 4UUJ (Anxiolytic) 4GQR (Anti-diabetic) 1A5H(Thrombolytic)
Beta-amyrine -5.067 - -2.734 -5.683 -4.306
Ursolic acid -4.578 - -1.593 -4.435 -4.385
Betulinic acid -5.096 - -2.986 -4.774 -3.588
Chrysoeriol -7.2 -7.151 -5.328 -5.785 -6.322
Quercetin -7.174 -7.362 -5.751 -7.63 -7.238
Friedelan-3-one -4.816 - -1.824 -5.326 -4.241
Beta-sitosterol - - -3.639 -4.932 -3.124
Fisetin -8.262 -8.013 -5.237 -7.653 -7.044
Cynaroside -6.431 -7.026 -4.057 -6.868 -8.438
Triacontane -3.879 - -2.865 - -2.031
Standard (Tamoxifen
/Diazepam/Acarbose/
Streptokinase)
-4.819 -6.84 -3.73 -7.206 -4.178