Molecular docking of potential inhibitors with the mTOR protein

Abstract

The mTOR (mammalian or mechanistic Target of Rapamycin) is linked with oral cancer. Therefore, it is of interest to study the molecular docking-based binding of paclitaxel (a FDA approved drug for oral cancer) and its analogues with mTOR. Hence, we report the binding features of 10-Deacetyltaxol, 7-Epi-10-deacetyltaxol, 7-Epi-Taxol and 6alpha-Hydroxypaclitaxel with mTOR for further consideration.

Keywords: analogues; mTOR; molecular docking; oral cancer; paclitaxel.

Figure 1

Molecular docking interaction of mTOR with (a) 10-deacetyltaxol; (b) 7-epi-10-deacetyltaxol; (c) 7-epi-taxol; (d) 6-alpha-hydroxypaclitaxel