Molecular docking study of coumarin-hydroxybenzohydrazide hybrid as an inhibitor of carbonic anhydrases IX and XII

dc.contributor.authorAntonijević, Marko
dc.contributor.authorSimijonović, Dušica
dc.contributor.authorMilenkovic, Dejan
dc.contributor.authorMarković, Zoran
dc.date.accessioned2023-02-08T16:36:37Z
dc.date.available2023-02-08T16:36:37Z
dc.date.issued2021
dc.description.abstractCarbonic anhydrase isoforms IX and XII are crucial for the regulation of extracellular pH thus facilitating cancer cell proliferation, invasion, and metastasis. Therefore, discovering good inhibitors of CA-IX and CA-XII is of great importance. In this study, the inhibitory activity of previously synthesized coumarin-hydroxybenzohydrazide 3a and its parent molecule 4-hydroxycoumarin, against enzymes CA-IX and CA-XII was investigated. For that purpose, the molecular docking study was performed. The activity of both investigated compounds was calculated for neutral and anionic species. The obtained results indicate that compound 3a expresses good inhibitory activity towards both investigated enzymes, but inhibitory activity is significantly better towards CA-XII than CA-IX.
dc.identifier.doi10.1109/BIBE52308.2021.9635373
dc.identifier.issn-
dc.identifier.scopus2-s2.0-85123714003
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/16161
dc.sourceBIBE 2021 - 21st IEEE International Conference on BioInformatics and BioEngineering, Proceedings
dc.titleMolecular docking study of coumarin-hydroxybenzohydrazide hybrid as an inhibitor of carbonic anhydrases IX and XII
dc.typeconferenceObject

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