Non-covalent interactions involving halogenated derivatives of capecitabine and thymidylate synthase: a computational approach


Capecitabine, a fluoropyrimidine prodrug, has been a frequently chosen ligand for the last one and half decades to inhibit thymidylate synthase (TYMS) for treatment of colorectal cancer. TYMS is a key enzyme for de novo synthesis of deoxythymidine monophosphate and subsequent synthesis of DNA. Recent years have also seen the trait of modifying ligands using… (More)
DOI: 10.1186/s40064-016-1844-y


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