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

Victor Pui-Yan Ma(1*), Wan-Chi Lam(2), Dik-Lung Ma(3), Chung-Hang Leung(4)

(1) Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China., China
(2) Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China., China
(3) Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China., China
(4) Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China., China
(*) Corresponding author

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

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