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Please use this identifier to cite or link to this item: http://142.54.178.187:9060/xmlui/handle/123456789/12951
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dc.contributor.authorAziz, Syaikhul-
dc.contributor.authorElfahmi, Elfahmi-
dc.contributor.authorA Soemardji, Andreanus-
dc.contributor.authorSukrasno, Sukrasno-
dc.date.accessioned2022-10-11T10:49:18Z-
dc.date.available2022-10-11T10:49:18Z-
dc.date.issued2020-05-10-
dc.identifier.citationAziz, S., & Soemardji, A. A. (2020). Molecular docking, synthesis and biological evaluation of ergosterylferulate as a HMG-CoA reductase inhibitor. Pakistan Journal of Pharmaceutical Sciences, 33(3).en_US
dc.identifier.issn1011-601X-
dc.identifier.urihttp://142.54.178.187:9060/xmlui/handle/123456789/12951-
dc.description.abstractIn the present study, ergosteryl-ferulate (5), oryzanol analog was evaluated for its possibility as the inhibitor of HMG-CoA reductase (HMGR), through in silico and in vitro approach. Firstly, the study was conducted through molecular docking simulation using AutoDock Tools software to predict the interaction of 5 in complexes with HMGR. In addition, four major compounds of oryzanol (1-4) were employed as a comparison. Secondly, 5 was synthesized through esterification using thionyl chloride as an activator. Lastly, 5 was evaluated for its capacity to inhibit HMGR activity using HMGR assay kit. Molecular docking simulation results suggest that oryzanol (1-4) and 5 exhibited a binding affinity against HMGR. The activity of 5 was predicted to be the best among the oryzanol compounds (1-4), in which, the free binding energy and inhibition constant were -4.17 kcal/mol and 0.88mM. The in vitro assay showed that 5 had inhibitory activity against HMGR 1.93 times higher than oryzanol. In summary, 5 has more potential candidates for HMGR inhibitor than oryzanol.en_US
dc.language.isoenen_US
dc.publisherKarachi:Pakistan Journal of Pharmaceutical Sciences, university of Karachi.en_US
dc.subjectDockingen_US
dc.subjectergosteryl-ferulateen_US
dc.subjectesterificationen_US
dc.subjectHMG-CoA reductaseen_US
dc.subjectoryzanolen_US
dc.titleMolecular docking, synthesis and biological evaluation of ergosterylferulate as a HMG-CoA reductase inhibitoren_US
dc.typeArticleen_US
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