Interaction model of steviol glycosides from Stevia rebaudiana (Bertoni) with sweet taste receptors: A computational approach

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dc.contributor.authorMayank
dc.contributor.authorJaitak, Vikas
dc.contributor.authorMayank, Jaitak, V.
dc.date.accessioned2017-08-02T09:13:43Z
dc.date.accessioned2024-08-13T12:05:25Z
dc.date.available2017-08-02T09:13:43Z
dc.date.available2024-08-13T12:05:25Z
dc.date.issued2015
dc.description.abstractDocking studies were performed on natural sweeteners from Stevia rebaudiana by constructing homology models of T1R2 and T1R3 subunits of human sweet taste receptors. Ramachandran plot, PROCHECK results and ERRAT overall quality factor were used to validate the quality of models. Furthermore, docking results of steviol glycosides (SG's) were correlated significantly with data available in the literature which enabled to predict the exact sweetness rank order of SG's. The binding pattern indicated that Asn 44, Ans 52, Ala 345, Pro 343, Ile 352, Gly 346, Gly 47, Ala 354, Ser 336, Thr 326 and Ser 329 are the main interacting amino acid residues in case of T1R2 and Arg 56, Glu 105, Asp 215, Asp 216, Glu 148, Asp 258, Lys 255, Ser 104, Glu 217, Leu 51, Arg 52 for T1R3, respectively. Amino acids interact with SG's mainly by forming hydrogen bonds with the hydroxyl group of glucose moieties. Significant variation in docked poses of all the SG's were found. In this study, we have proposed the mechanism of the sweetness of the SG's in the form of multiple point stimulation model by considering the diverse binding patterns of various SG's, as well as their structural features. It will give further insight in understanding the differences in the quality of taste and will be used to improve the taste of SG's using semi-synthetic approaches. ? 2015 Elsevier Ltd. All rights reserved.en_US
dc.identifier.citationMayank, & Jaitak, V. (2015). Interaction model of steviol glycosides from Stevia rebaudiana (Bertoni) with sweet taste receptors: A computational approach. Phytochemistry, 116(1), 12-20. doi: 10.1016/j.phytochem.2015.05.006en_US
dc.identifier.doi10.1016/j.phytochem.2015.05.006
dc.identifier.issn319422
dc.identifier.urihttp://10.2.3.109/handle/32116/264
dc.identifier.urlhttps://www.sciencedirect.com/science/article/abs/pii/S0031942215001673
dc.language.isoenen_US
dc.publisherElsevier Ltden_US
dc.subjectStevia Rebaudianaen_US
dc.subjectAmino Aciden_US
dc.subjectG Protein Coupled Receptoren_US
dc.subjectGlucosideen_US
dc.subjectKaurane Derivativeen_US
dc.subjectSteviolen_US
dc.subjectSteviosideen_US
dc.subjectSweetening Agenten_US
dc.subjectTaste Receptors, Type 1en_US
dc.subjectBiological Modelen_US
dc.subjectChemistryen_US
dc.subjectGeneticsen_US
dc.subjectHumanen_US
dc.subjectIsolation And Purificationen_US
dc.subjectMetabolismen_US
dc.subjectPhysiologyen_US
dc.subjectSteviaen_US
dc.subjectTasteen_US
dc.subjectAmino Acidsen_US
dc.subjectDiterpenes, Kauraneen_US
dc.subjectGlucosidesen_US
dc.subjectHumansen_US
dc.subjectModels, Biologicalen_US
dc.subjectReceptors, G-Protein-Coupleden_US
dc.subjectSteviaen_US
dc.subjectSweetening Agentsen_US
dc.subjectTasteen_US
dc.titleInteraction model of steviol glycosides from Stevia rebaudiana (Bertoni) with sweet taste receptors: A computational approachen_US
dc.title.journalPhytochemistry
dc.typeArticleen_US

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