Synthesis, cytotoxicity evaluation and molecular docking studies on 2′,4′-dihydroxy-6′-methoxy-3′,5′-dimethylchalcone derivatives
Nopawit Khamto, Lada Chaichuang, Puracheth Rithchumpon, Worrapong Phupong, Phuangthip Bhoopong, Suriya Tateing, Wilart Pompimon, Natthawat Semakul, Ni-orn Chomsri, Puttinan Meepowpan
Abstract
values of 9.99 and 13.98 μM, respectively. Our structure-activity relationship (SAR) highlights the importance of 2'-OH and the derivatisation pattern of 4'-OH. Furthermore, molecular docking simulation studies shed further light on how these bioactive compounds interact with cyclin-dependent kinase 2 (CDK2).
Topics & Concepts
CytotoxicityChemistryDocking (animal)StereochemistryFlavanoneCoumarinAcylationCombinatorial chemistryIn vitroOrganic chemistryBiochemistryAntioxidantNursingFlavonoidMedicineCatalysisSynthesis and biological activityPhytochemical compounds biological activitiesBioactive natural compounds