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Figure 10 | Breast Cancer Research

Figure 10

From: In silico discovery and validation of potent small-molecule inhibitors targeting the activation function 2 site of human oestrogen receptor α

Figure 10

Binding orientation of VPC-13002 and VPC-16230 inside the oestrogen receptor activation function 2 pocket. (A) Overlay of the compound VPC-13002 binding pose (green) over the α-helical LXXLL motif (magenta). Indole and aryl groups of VPC-13002 overlap with the leucines at i and i + 4 positions of the LXXLL motif of the coactivator. (B) Predicted binding orientation of VPC-13002 inside the oestrogen receptor (ER) activation factor 2 (AF2) site. (C) Overlay of VPC-16230 binding pose (green) over the α-helical LXXLL motif (magenta). (D) Predicted binding orientation of VPC-16230 inside the ER AF2 site. Hydrogen bond is shown in black. Hydrophobic residues are shown in brown, positive-charged residues in blue and negative-charged residues in red.

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Breast Cancer Research

ISSN: 1465-542X

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