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Computational and Mathematical Methods in Medicine
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Computational and Mathematical Methods in Medicine
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2022
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Article
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Tab 3
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Research Article
Assessing the Mechanism of Action of “Fructus Ligustri Lucidi-Cuscutae Semen” in Prostate Cancer Treatment Using Network Pharmacology and Molecular Docking
Table 3
Binding energy of potential active ingredients to target proteins.
Potential active ingredients
Combined energy (kJ/mol)
TP53
NTPK1
ESR1
MCM2
EGFR
Taxifolin
-8.94
-4.37
-2.47
-3.54
-4.07
Lucidumoside D_qt
-4.06
-3.48
-2.82
-3.03
-4.11
Eriodictyol
-5.64
-4.56
-4.97
-3.88
-4.01
Olitoriside_qt
-4.06
-3.48
-2.82
-3.03
-4.70
Luteolin
-4.88
-2.74
-2.67
-5.02
-3.45
Sesamin
-7.69
-6.08
-4.86
-4.71
-4.26
Stigmasterol
-5.69
-4.10
-4.86
-3.01
-4.75
Isorhamnetin
-4.60
-4.80
-2.88
-4.21
-3.54
Isofucosterol
-3.60
-4.11
-4.73
-5.26
-3.54
Matrine
-6.22
-5.04
-4.16
-4.49
-4.30
Beta-sitosterol
-4.58
-4.95
-7.07
-3.22
-7.58
Kaempferol
-7.39
-4.52
-4.06
-3.68
-6.01
Quercetin
-8.74
-3.61
-3.10
-2.29
-3.16