Utilizing Ayurvedic literature for the identification of novel phytochemical inhibitors of botulinum neurotoxin A

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dc.contributor.authorYalamanchili, Chinni
dc.contributor.authorManda, Vamshi K.
dc.contributor.authorChittiboyina, Amar G.
dc.contributor.authorGuernieri, Rebecca L.
dc.contributor.authorHarrell, William A. Jr.
dc.contributor.authorWebb, Robert P.
dc.contributor.authorSmith, Leonard A.
dc.contributor.authorKhan, Ikhlas A.
dc.contributor.departmentChemistryen_US
dc.date.accessioned2020-02-24T15:23:07Z
dc.date.available2020-02-24T15:23:07Z
dc.date.issued2017-02-02
dc.description.abstractEthnopharmacological relevance Ayurveda, an ancient holistic system of health care practiced on the Indian subcontinent, utilizes a number of multi-plant formulations and is considered by many as a potential source for novel treatments, as well as the identification of new drugs. Our aim is to identify novel phytochemicals for the inhibition of bacterial exotoxin, botulinum neurotoxin A (BoNT/A) based on Ayurvedic literature. BoNT/A is released by Clostridium species, which when ingested, inhibits the release of acetylcholine by concentrating at the neuromuscular junction and causes flaccid paralysis, resulting in a condition termed as botulism, and may also lead to death due to respiratory arrest. Results From the docking scores and structural diversity, nine compounds including acoric acid 1, three flavonoids, three coumarins derivatives, one kava lactone were selected and screened using an in vitro HPLC-based protease assay. The bioassay results showed that several compounds possess BoNT/A LC inhibition of 50–60% when compared to positive controls NSC 84094 and CB7967495 (80–95%). Conclusion Further testing of the active compounds identified from Ayurvedic literature and structure-activity studies of acoric acid 1 using more sensitive bioassays is under way. The identification of acoric acid 1, a novel scaffold against BoNT/A, exemplifies the utility of Ayurvedic literature for the discovery of novel drug leads.en_US
dc.description.urihttps://ezproxy.stevenson.edu/login?url=https://search.ebscohost.com/login.aspx?direct=true&db=edselp&AN=S0378874116305001&site=eds-live&scope=siteen_US
dc.format.extent7 pagesen_US
dc.genreJournal Articleen_US
dc.identifierdoi:10.13016/m2srer-5fns
dc.identifier.citationYalamanchili, C., Manda, V. K., Chittiboyina, A. G., Guernieri, R. L., Harrell, J. W. A., Webb, R. P., Smith, L. A., & Khan, I. A. (2017). Utilizing Ayurvedic literature for the identification of novel phytochemical inhibitors of botulinum neurotoxin A. Journal of Ethnopharmacology, 197, 211–217. https://doi.org/10.1016/j.jep.2016.07.069en_US
dc.identifier.issn0378-8741
dc.identifier.uri10.1016/j.jep.2016.07.069
dc.identifier.urihttp://hdl.handle.net/11603/17361
dc.language.isoenen_US
dc.publisherJournal of Ethnopharmacologyen_US
dc.subjectAyurvedic literatureen_US
dc.subjectAcoric aciden_US
dc.subjectBioterror agentsen_US
dc.subjectBotulinum neurotoxin serotype A inhibitorsen_US
dc.subjectComputer-aided drug discoveryen_US
dc.subjectDrug-discoveryen_US
dc.subjectNatural product inhibitorsen_US
dc.subjectProtease inhibitorsen_US
dc.titleUtilizing Ayurvedic literature for the identification of novel phytochemical inhibitors of botulinum neurotoxin Aen_US
dc.typeTexten_US

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