Hit Identification of Anthraquinone Based Molecules as c-myc G-Quadruplex Inducers/Stabilizers via in silico Structural Similarity Approach


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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
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Keywords


Anthraquinones; c-myc; G-quadruplex; Traditional Chinese Medicine; Computer-aided Drug Discovery

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References


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