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dc.contributor.authorInácio, Marielle Cascaes
dc.contributor.authorPaz, Tiago Antunes
dc.contributor.authorWijeratne, E. M. Kithsiri
dc.contributor.authorGunaherath, G. M. Kamal B.
dc.contributor.authorGuido, Rafael V. C.
dc.contributor.authorGunatilaka, A. A. Leslie
dc.date.accessioned2022-08-05T00:55:16Z
dc.date.available2022-08-05T00:55:16Z
dc.date.issued2022-07-13
dc.identifier.citationInácio, M. C., Paz, T. A., Wijeratne, E. M. K., Gunaherath, G. M. K. B., Guido, R. V. C., & Gunatilaka, A. A. L. (2022). Antimicrobial activity of some celastroloids and their derivatives. Medicinal Chemistry Research.en_US
dc.identifier.issn1054-2523
dc.identifier.doi10.1007/s00044-022-02927-6
dc.identifier.urihttp://hdl.handle.net/10150/665549
dc.description.abstractInfections are among the 10 deadliest diseases in the world. Here we screened 19 celastroloids and their derivatives 1–19 against several strains of bacteria and yeast of biomedical significance. In general, quinonemethide-type celastroloids, except isoiguesterin (8) exhibited significant antibacterial activity for Staphylococcus aureus ATCC 25923, MRSA ATCC 33592, and the clinical isolate STA6 with MICs of 0.39–12.50 µg/mL, whereas 14(15)-enequinonemethide, balaenol (12), showed antifungal activity against Candida albicans ATCC 10261 with an MIC of 3.12 µg/mL. Among the phenolic triterpenes and their derivatives, zeylasterone (14) had an MIC of 1.56 µg/mL for all 3 strains of S. aureus, and zeylasteral (15) was active against C. albicans at 3.12 µg/mL. Cytotoxicity assays revealed that most quinonemethides were cytotoxic with IC50s of 0.16–0.36 µg/mL that are below their MIC values. However, 14(15)-enequinonemethide 12 and phenolic triterpenes 14 and 15 exhibited antimicrobial activity at sub-cytotoxic concentrations, suggesting that these celastroloids are potential candidates for further studies. Molecular docking studies were used to investigate the theoretical affinities for potential protein targets of 12 and 14 in S. aureus, and 15 in C. albicans. Based on their docking scores, it can be inferred that 12 and 14 inhibits GyrB in S. aureus, and 15 inhibits Bdf1 in C. albicans.en_US
dc.language.isoenen_US
dc.publisherSpringer Science and Business Media LLCen_US
dc.rights© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2022.en_US
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en_US
dc.subjectAntimicrobial activityen_US
dc.subjectCelastroloidsen_US
dc.subjectEnequinonemethide triterpenesen_US
dc.subjectPhenolic triterpenesen_US
dc.subjectQuinonemethide triterpenesen_US
dc.titleAntimicrobial activity of some celastroloids and their derivativesen_US
dc.typeArticleen_US
dc.identifier.eissn1554-8120
dc.contributor.departmentSouthwest Center for Natural Products Research, School of Natural Resources and the Environment, College of Agriculture and Life Sciences, University of Arizonaen_US
dc.identifier.journalMedicinal Chemistry Researchen_US
dc.description.note12 month embargo; published: 13 July 2022en_US
dc.description.collectioninformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.en_US
dc.eprint.versionFinal accepted manuscripten_US
dc.identifier.pii2927
dc.source.journaltitleMedicinal Chemistry Research


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