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Evaluation of the anti-diabetic activity of some common herbs and spices : providing new insights with inverse virtual screening

dc.contributor.authorPereira, Andreia S.P.
dc.contributor.authorBanegas-Luna, Antonio J.
dc.contributor.authorPena-Garcia, Jorge
dc.contributor.authorPerez-Sanchez, Horacio
dc.contributor.authorApostolides, Zeno
dc.date.accessioned2020-03-30T13:51:39Z
dc.date.available2020-03-30T13:51:39Z
dc.date.issued2019-11-07
dc.description.abstractCulinary herbs and spices are widely used as a traditional medicine in the treatment of diabetes and its complications, and there are several scientific studies in the literature supporting the use of these medicinal plants. However, there is often a lack of knowledge on the bioactive compounds of these herbs and spices and their mechanisms of action. The aim of this study was to use inverse virtual screening to provide insights into the bioactive compounds of common herbs and spices, and their potential molecular mechanisms of action in the treatment of diabetes. In this study, a library of over 2300 compounds derived from 30 common herbs and spices were screened in silico with the DIA-DB web server against 18 known diabetes drug targets. Over 900 compounds from the herbs and spices library were observed to have potential anti-diabetic activity and liquorice, hops, fennel, rosemary, and fenugreek were observed to be particularly enriched with potential anti-diabetic compounds. A large percentage of the compounds were observed to be potential polypharmacological agents regulating three or more anti-diabetic drug targets and included compounds such as achillin B from yarrow, asparasaponin I from fenugreek, bisdemethoxycurcumin from turmeric, carlinoside from lemongrass, cinnamtannin B1 from cinnamon, crocin from sa ron and glabridin from liquorice. The major targets identified for the herbs and spices compounds were dipeptidyl peptidase-4 (DPP4), intestinal maltase-glucoamylase (MGAM), liver receptor homolog-1 (NR5A2), pancreatic alpha-amylase (AM2A), peroxisome proliferator-activated receptor alpha (PPARA), protein tyrosine phosphatase non-receptor type 9 (PTPN9), and retinol binding protein-4 (RBP4) with over 250 compounds observed to be potential inhibitors of these particular protein targets. Only bay leaves, liquorice and thyme were found to contain compounds that could potentially regulate all 18 protein targets followed by black pepper, cumin, dill, hops and marjoram with 17 protein targets. In most cases more than one compound within a given plant could potentially regulate a particular protein target. It was observed that through this multi-compound-multi target regulation of these specific protein targets that the major anti-diabetic e ects of reduced hyperglycemia and hyperlipidemia of the herbs and spices could be explained. The results of this study, taken together with the known scientific literature, indicated that the anti-diabetic potential of common culinary herbs and spices was the result of the collective action of more than one bioactive compound regulating and restoring several dysregulated and interconnected diabetic biological processes.en_ZA
dc.description.departmentBiochemistryen_ZA
dc.description.departmentGeneticsen_ZA
dc.description.departmentMicrobiology and Plant Pathologyen_ZA
dc.description.librarianam2020en_ZA
dc.description.sponsorshipThe National Research Foundation of South Africa, the Spanish Ministry of Economy and Competitiveness (CTQ2017-87974-R) and by the Fundación Séneca del Centro de Coordinación de la Investigación de la Región de Murcia under Project 20988/PI/18.en_ZA
dc.description.urihttp://www.mdpi.com/journal/moleculesen_ZA
dc.identifier.citationPereira, A.S.P., Banegas-Luna, A.J., Peña-García, J. et al. 2019, 'Evaluation of the anti-diabetic activity of some common herbs and spices : providing new insights with inverse virtual screening', Molecules, vol. 24, no. 22, art. 4030, pp. 1-42.en_ZA
dc.identifier.issn1420-3049 (online)
dc.identifier.other10.3390/molecules24224030
dc.identifier.urihttp://hdl.handle.net/2263/73873
dc.language.isoenen_ZA
dc.publisherMDPI Publishingen_ZA
dc.rights© 2019 by the authors. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.en_ZA
dc.subjectHerbsen_ZA
dc.subjectSpicesen_ZA
dc.subjectAnti-diabeticen_ZA
dc.subjectDIA-DBen_ZA
dc.subjectVirtual screeninen_ZA
dc.subjectSesquiterpenoidsen_ZA
dc.subjectFlavonoidsen_ZA
dc.titleEvaluation of the anti-diabetic activity of some common herbs and spices : providing new insights with inverse virtual screeningen_ZA
dc.typeArticleen_ZA

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