{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Fulci C"],"funding":["Associazione Italiana per la Ricerca sul Cancro","Ministero dell&apos;Istruzione, dell&apos;Università e della Ricerca"],"pagination":["240-247"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6009906"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["32(1)"],"pubmed_abstract":["<h4>Context</h4>The nitrobezoxadiazole derivative NBDHEX is a potent inhibitor of glutathione transferase P1-1 (GSTP1-1) endowed with outstanding anticancer activity in different tumor models.<h4>Objective</h4>To characterize by in vitro biochemical and in silico studies the NBDHEX analogues named MC2752 and MC2753.<h4>Materials and methods</h4>Synthesis of MC2752 and MC2753, biochemical assays and in silico docking and normal-mode analyses.<h4>Results</h4>The presence of a hydrophobic moiety in the side chain of MC2753 confers unique features to this molecule. Unlike its parent drug NBDHEX, MC2753 does not require GSH to trigger the dissociation of the complex between GSTP1-1 and TRAF2, and displays high stability towards the nucleophilic attack of the tripeptide under physiological condi"],"journal":["Journal of enzyme inhibition and medicinal chemistry"],"pubmed_title":["A new nitrobenzoxadiazole-based GSTP1-1 inhibitor with a previously unheard of mechanism of action and high stability."],"pmcid":["PMC6009906"],"funding_grant_id":["AIRC-TRIDEO 2015 (Id.17515)","PRIN 2012 (prot.2012CTAYSY) and PRIN 2015 (prot. 20157WW5EH_007)"],"pubmed_authors":["Rotili D","Stella L","De Luca A","Di Paolo V","Mai A","Fulci C","Morozzo Della Rocca B","Forgione M","Falconi M","Quintieri L","Caccuri AM"],"additional_accession":[]},"is_claimable":false,"name":"A new nitrobenzoxadiazole-based GSTP1-1 inhibitor with a previously unheard of mechanism of action and high stability.","description":"<h4>Context</h4>The nitrobezoxadiazole derivative NBDHEX is a potent inhibitor of glutathione transferase P1-1 (GSTP1-1) endowed with outstanding anticancer activity in different tumor models.<h4>Objective</h4>To characterize by in vitro biochemical and in silico studies the NBDHEX analogues named MC2752 and MC2753.<h4>Materials and methods</h4>Synthesis of MC2752 and MC2753, biochemical assays and in silico docking and normal-mode analyses.<h4>Results</h4>The presence of a hydrophobic moiety in the side chain of MC2753 confers unique features to this molecule. Unlike its parent drug NBDHEX, MC2753 does not require GSH to trigger the dissociation of the complex between GSTP1-1 and TRAF2, and displays high stability towards the nucleophilic attack of the tripeptide under physiological condi","dates":{"release":"2017-01-01T00:00:00Z","publication":"2017 Dec","modification":"2026-05-05T23:10:35.906Z","creation":"2026-04-07T22:05:23.799Z"},"accession":"S-EPMC6009906","cross_references":{"pubmed":["28097896"],"doi":["10.1080/14756366.2016.1247059"]}}