Synthesis, In Vitro Cytotoxicity, and DFT Studies of Novel 2-Amino Substituted Benzonaphthyridines as PDK1 Inhibitors

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dc.contributor.authorPrabha, Kolandaivel
dc.contributor.authorSatheeshkumar, Rajendran
dc.contributor.authorNasif, Vesim
dc.contributor.authorSaranya, Jayapalan
dc.contributor.authorSayin, Koray
dc.contributor.authorNatarajan, Jeyakumar
dc.contributor.authorChandrasekar, Chinnarasu
dc.contributor.authorPrasad, K. J. Rajendra
dc.date.accessioned2025-01-20T21:10:12Z
dc.date.available2025-01-20T21:10:12Z
dc.date.issued2022
dc.description.abstractThe present work emphasizes the utility of 2,4-dichloro-5-methylbenzo[h][1,6]naphthyridine as starting precursors. The reaction of 2,4-dichloro-5-methylbenzo[h][1,6]naphthyridine with a variety of aliphatic and aromatic amines yielded 2-amino substituted 2,4-dichlorobenzo[h]naphthyridines. All the compounds were examined for their in vitro anticancer activity against six human cancer lines and docked with PDK1 inhibitors. The structure-activity relationship studies are revealed that the compounds holding aminocarbazole moiety and triazole amine moiety improve the activity profile. All the structures of synthesized compounds were optimized at B3LYP-D3/6-31G(d) level in the water. Furthermore, the electronic properties and biological reactivity of the synthesized compounds are explored using computational techniques.
dc.fuente.origenWOS
dc.identifier.doi10.1002/slct.202200288
dc.identifier.issn2365-6549
dc.identifier.urihttps://doi.org/10.1002/slct.202200288
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/93568
dc.identifier.wosidWOS:000775574600001
dc.issue.numero13
dc.language.isoen
dc.revistaChemistryselect
dc.rightsacceso restringido
dc.subjectCytotoxicity
dc.subjectDFT calculations
dc.subject1
dc.subject6-Naphthyridin-2-amines
dc.subjectPDK 1 inhibitors
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleSynthesis, In Vitro Cytotoxicity, and DFT Studies of Novel 2-Amino Substituted Benzonaphthyridines as PDK1 Inhibitors
dc.typeartículo
dc.volumen7
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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