Xanthone Conjugated Amino Acids as Potential Anticancer and DNA Binding Agents: Molecular Docking, Cytotoxicity and SAR Studies

摘要

Background: Amino acids conjugated with heterocyclic molecules are well known for their effectivebioactive properties. In search of effective anticancer agents, a series of xanthone linked amino acids 2-23 weresynthesized and tested for in vitro anticancer activity.Methods: In vitro anticancer activity of the synthesized xanthone linked amino acids 2-23 are tested against threedifferent cancer cell lines MCF-7, MDA-MB-435 and A549 by MTT assay and validated by DNA binding andmolecular docking approaches. Doxorubicin and ethidium bromide used as standard and positive controlrespectively.Results: Compounds 7, 8 and 9 exhibited potent anticancer activity against tested cancer cell lines and DNA bindingstudy using methyl green. In the molecular docking study, binding interactions of the most active compounds 7, 8and 9 were confirmed to molecular surface of DNA.Conclusion: Structure-Activity Relationship (SAR) showed that the aromatic and hydrophobic amino acids(phenylalanine, tyrosine, and tryptophan) favoured the DNA binding studies and anticancer activity whereas,aliphatic amino acids showed least anticancer activity.