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. 2020 Oct 28;25(21):4994. doi: 10.3390/molecules25214994

Table 6.

Docking scores of the bioactive compounds identified in the dichloromethane extract (DTL) of T. leucostaphylum.

Compound Name Docking Score
4U14 5AIN 5LAQ 4JOM 4R7U
2,4-Di-tert-butylphenol −8.14 −5.89 −8.37 −4.92 −4.85
Pentadecene −0.08 +2.61 +1.45 +3.81 +3.46
Nonadecene −0.84 +0.96 −0.75 +3.53 +2.18
Methyl palmitate −2.16 −0.27 −1.69 +1.79 +1.80
Palmitic acid −1.54 +0.09 −1.63 +1.28 +1.84
Behenic alcohol −5.23 −3.28 −5.66 −1.15 −2.78
Methyl lineoleate −3.75 −1.75 −3.09 +0.68 +0.67
Methyl elaidolinolenate −3.96 −2.03 −2.39 +1.29 −0.44
Linoleic acid −3.85 −0.72 −3.47 +0.73 +0.25
Linolenic acid −2.94 −1.00 −3.99 −0.05 +0.01
Reference drug −7.28 −5.93 −4.17 −4.57

Docking scores in Kcal/mol; bold text indicates the highest score.