Prioritization of anti-malarial hits from nature: Chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs

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dc.contributor.authorEgieyeh, Samuel Ayodele
dc.contributor.authorSyce, James
dc.contributor.authorMalan, Sarel F.
dc.date.accessioned2023-02-09T08:03:05Z
dc.date.available2023-02-09T08:03:05Z
dc.date.issued2016
dc.description.abstractA large number of natural products have shown in vitro antiplasmodial activities. Early identification and prioritization of these natural products with potential for novel mechanism of action, desirable pharmacokinetics and likelihood for development into drugs is advantageous. Chemo-informatic profiling of these natural products were conducted and compared to currently registered anti-malarial drugs (CRAD). Natural products with in vitro antiplasmodial activities (NAA) were compiled from various sources. These natural products were sub-divided into four groups based on inhibitory concentration (IC50). Key molecular descriptors and physicochemical properties were computed for these compounds and analysis of variance used to assess statistical significance amongst the sets of compounds. Molecular similarity analysis, estimation of drug-likeness, in silico pharmacokinetic profiling, and exploration of structure–activity landscape were also carried out on these sets of compounds.en_US
dc.identifier.citationEgieyeh, S. A. (2016). Prioritization of anti-malarial hits from nature: Chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs. Malaria Journal,15( 50), 1-23. https://doi.org/10.1186/s12936-016-1087-yen_US
dc.identifier.issn1475-2875
dc.identifier.urihttps://doi.org/10.1186/s12936-016-1087-y
dc.identifier.urihttp://hdl.handle.net/10566/8388
dc.language.isoenen_US
dc.publisherBMCen_US
dc.subjectAntiplasmodialen_US
dc.subjectAnti-malarial drugsen_US
dc.subjectMalariaen_US
dc.subjectChemo-informaticsen_US
dc.subjectAfricaen_US
dc.titlePrioritization of anti-malarial hits from nature: Chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugsen_US
dc.typeArticleen_US

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