Investigating the In-Silico Stabilization of G-quadruplexes for the Development of Anti-Cancer DNA Telomerase Inhibitors

Elsa Katarina Acosta

The goal of this project is to test previously identified compounds for their ability to stabilize G-quadruplexes. This has implications for the development of anti-cancer drugs that target DNA telomerase. Drug-like requirements, simplicity of synthesis, and environmental impact are relevant factors in selecting these compounds. Computational chemistry methods such as Molecular Dynamics and GLIDE docking will be used to quantify binding energies and affinities between the ligands and G-quadruplexes. The compounds that bind most favorably will be synthesized by a collaborating lab.

Department:

Chemistry

Mentor(s):

Carol Parish, Francesca Mocci