Journal of Theoretical Chemistry / 2013 / Article / Tab 1

Research Article

Molecular Dynamics Simulation of VEGFR2 with Sorafenib and Other Urea-Substituted Aryloxy Compounds

Table 1

VEGFR-2 inhibitory and their computed interaction energies.

CompoundRIC50 (μM)a (kJ mol−1)
ABC

Sorafenib−101.62 −144.25 −103.37
12n-Pr0.40−123.77 −161.43 −47.82
13a Benzyl0.06−119.34 −160.18 −72.73
14a4-Methoxybenzyl0.07−114.74 −127.62 −95.51
154-Bromobenzyl0.05−201.94 −127.53 −90.16
162,4-Difluorobenzyl0.09−144.71 −163.77 −81.30
173-Chloro-4-fluorobenzyl0.04−111.40 −97.60 −86.86
184-Trifluoromethyl-benzyl0.06−153.32 −124.31 −84.85
194-Methyl-benzyl0.05−128.24 −121.51 −82.76
202-Naphthyl0.03−117.25 −119.72 −109.77
211-Naphthyl5.50−136.48 −104.12 −109.31
22Cyclohexyl1.00−108.64 −91.12 −47.69

Taken from [14].

Article of the Year Award: Outstanding research contributions of 2020, as selected by our Chief Editors. Read the winning articles.