DNA Minor Groove Molecular Docking and Molecular Dynamics Simulations of the Oolong Tea Glycoside Chafuroside A
Abstract
Cancer remains a leading global health challenge, driving the urgent need for the discovery and development of novel anti-tumor compounds. This study employs a comprehensive computational approach to evaluate the therapeutic potential of chafuroside A, a natural glycoside, by investigating its interaction with DNA and assessing its pharmacokinetic and toxicological properties. The three-dimensional structure of chafuroside A was obtained, and its binding affinity to DNA was analyzed through mole
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