Hit identification of anthraquinone based molecules as c-myc G-quadruplex inducers/stabilizers via in silico structural similarity approach

Abstract

Natural products in Traditional Chinese Medicine (TCM) such as anthraquinone derivatives have a wide variety of pharmacological properties as well as proven record of high efficacy. Previously, our group reported an anthraquinone derivative Fonsecin B as c-myc G-quadruplex stabilizer. We herein report two bioactive anthraquinones with modifiable hydroxyl groups abundant in Chinese Medicine Rheum Palmatum L. (also known as Da Huang) as c-myc G-quadruplex stabilizer, identified by in silico structural similarity approach. Interaction of the anthraquinones with c-myc G-quadruplex was investigated by PCR Stop Assay