Docking the newly designed anti cancer molecules and studying their effect on Hypoxia –inducible factor-1 (HIF-1) compared to the LW6 molecule.

Molecular docking is a superb established computational technique that often used to predict the binding orientation of small molecule drug candidates to their protein targets in order to forecast the affinity and activity of the small molecule 1. Hypoxia –inducible factor-1 (HIF-1) is a pivotal transcriptions factor, which strongly correlated with angiogenesis, tumor survival, metastasis, and cell proliferation. Docking results are as follows:1- Adamantyl group is essential for inhibition. Molecules without adamantyl group have much less inhibitory effect. 2- O, N, amide groups that are located in a particular position of this molecule are at their best position. 3- The length of the molecule, if less or more than this amount will greatly reduce the inhibitory effect. 4- The effect of indene's group is high for inhibitor 2.

کلیدواژه ها:

HIF-1 ، Molecular docking ، LW6 ، Anticancer drug.