International Scholarly Research Notices / 2012 / Article / Tab 1

Research Article

Docking Applied to the Study of Inhibitors of c-Met Kinase

Table 1

Biological data and docking results for quinoxaline derivatives.

Compoundc-Met IC50
(ΞΌM)
pIC50 𝑑 a (Γ…)Binding energy
(Kcal/mol)
Compoundc-Met IC50
(ΞΌM)
pIC50 𝑑 a (Γ…)Binding energy
(Kcal/mol)

11.35.8861.80βˆ’11.6180.86.0971.93βˆ’11.9
2 0 % @ 1 0 0 <41.92βˆ’10.51912.94.8892.24βˆ’10.5
320.14.6971.85βˆ’10.5202.05.6992.08βˆ’11.5
45.35.2761.78βˆ’11.3210.396.4092.09βˆ’12.0
5 0 % @ 1 0 0 <42.18βˆ’10.5220.176.7701.94βˆ’12.0
61.35.8861.86βˆ’11.7230.336.4811.92βˆ’12.2
719.64.7082.34βˆ’10.7241.95.7211.94βˆ’11.7
828.34.5482.03βˆ’10.6251.15.9592.07βˆ’11.7
93.95.4091.98βˆ’11.2267.15.1492.78βˆ’11.4
102.85.5531.94βˆ’11.4270.0357.4561.86βˆ’12.4
115.05.3011.86βˆ’11.4280.546.2682.02βˆ’11.9
1260.24.2203.20βˆ’10.7290.0557.2601.97βˆ’12.0
131.55.8242.19βˆ’11.2300.326.4952.03βˆ’11.8
141.85.7452.05βˆ’11.6310.0177.7701.96βˆ’13.0
15 0 % @ 1 0 0 <43.33βˆ’10.9320.736.1371.94βˆ’11.4
165.05.3013.35βˆ’11.1330.0317.5092.02βˆ’12.4
170.96.0462.09βˆ’11.4340.386.4202.13βˆ’12.1

aDistances derived from docking between the endocyclic N atom located at the positions 4 of the quinoxalines and the H atom of the MET1160.

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