FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3036012327> ?p ?o ?g. }

• W3036012327 endingPage "7983" @default.
• W3036012327 startingPage "7974" @default.
• W3036012327 abstract "Human sweet taste receptor (hSTR) recognizes a wide array of sweeteners, resulting in sweet taste perception. Maltitol and lactitol have been extensively used in place of sucrose due to their capability to prevent dental caries. Herein, several molecular modeling approaches were applied to investigate the structural and energetic properties of these two polyols/hSTR complexes. Triplicate 500 ns molecular dynamics (MD) simulations and molecular mechanics/generalized Born surface area (MM/GBSA)-based free energy calculations revealed that the TAS1R2 monomer is the preferential binding site for maltitol and lactitol rather than the TAS1R3 region. Several polar residues (D142, S144, Y215, D278, E302, R383, and especially N143) were involved in polyols binding through electrostatic attractions and H-bond formations. The molecular complexation process not only induced the stable form of ligands but also stimulated the conformational adaptation of the TAS1R2 monomer to become a close-packed structure through an induced-fit mechanism. Notably, the binding affinity of the maltitol/TAS1R2 complex (ΔGbind of −17.93 ± 1.49 kcal/mol) was significantly higher than that of the lactitol/TAS1R2 system (−8.53 ± 1.78 kcal/mol), in line with the experimental relative sweetness. These findings provide an in-depth understanding of the differences in the sweetness response between maltitol and lactitol, which could be helpful to design novel polyol derivatives with higher sweet taste perception." @default.
• W3036012327 created "2020-06-25" @default.
• W3036012327 creator A5027050921 @default.
• W3036012327 creator A5031067302 @default.
• W3036012327 creator A5089269319 @default.
• W3036012327 date "2020-06-18" @default.
• W3036012327 modified "2023-10-16" @default.
• W3036012327 title "Binding Hotspot and Activation Mechanism of Maltitol and Lactitol toward the Human Sweet Taste Receptor" @default.
• W3036012327 cites W1945680072 @default.
• W3036012327 cites W1968654323 @default.
• W3036012327 cites W1976499671 @default.
• W3036012327 cites W1988880276 @default.
• W3036012327 cites W1991197347 @default.
• W3036012327 cites W2015614228 @default.
• W3036012327 cites W2025768791 @default.
• W3036012327 cites W2029169021 @default.
• W3036012327 cites W2049617698 @default.
• W3036012327 cites W2050642662 @default.
• W3036012327 cites W2057077123 @default.
• W3036012327 cites W2060809301 @default.
• W3036012327 cites W2067388704 @default.
• W3036012327 cites W2072131420 @default.
• W3036012327 cites W2080329693 @default.
• W3036012327 cites W2089683678 @default.
• W3036012327 cites W2095719702 @default.
• W3036012327 cites W2097558914 @default.
• W3036012327 cites W2106140689 @default.
• W3036012327 cites W2126103175 @default.
• W3036012327 cites W2136304815 @default.
• W3036012327 cites W2136898184 @default.
• W3036012327 cites W2147993766 @default.
• W3036012327 cites W2156053468 @default.
• W3036012327 cites W2167191800 @default.
• W3036012327 cites W2177317049 @default.
• W3036012327 cites W2201150409 @default.
• W3036012327 cites W2254968490 @default.
• W3036012327 cites W2292301738 @default.
• W3036012327 cites W2330799739 @default.
• W3036012327 cites W2346623934 @default.
• W3036012327 cites W2404280981 @default.
• W3036012327 cites W2560684461 @default.
• W3036012327 cites W2562397373 @default.
• W3036012327 cites W2590360966 @default.
• W3036012327 cites W2604923238 @default.
• W3036012327 cites W2647729228 @default.
• W3036012327 cites W2763043948 @default.
• W3036012327 cites W2807115002 @default.
• W3036012327 cites W2894813378 @default.
• W3036012327 cites W2899414051 @default.
• W3036012327 cites W2921352217 @default.
• W3036012327 cites W2924740051 @default.
• W3036012327 cites W2959804098 @default.
• W3036012327 cites W2966401328 @default.
• W3036012327 cites W2972624209 @default.
• W3036012327 cites W2976012718 @default.
• W3036012327 cites W4229994398 @default.
• W3036012327 cites W790625397 @default.
• W3036012327 doi "https://doi.org/10.1021/acs.jafc.0c02580" @default.
• W3036012327 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32551626" @default.
• W3036012327 hasPublicationYear "2020" @default.
• W3036012327 type Work @default.
• W3036012327 sameAs 3036012327 @default.
• W3036012327 citedByCount "25" @default.
• W3036012327 countsByYear W30360123272020 @default.
• W3036012327 countsByYear W30360123272021 @default.
• W3036012327 countsByYear W30360123272022 @default.
• W3036012327 countsByYear W30360123272023 @default.
• W3036012327 crossrefType "journal-article" @default.
• W3036012327 hasAuthorship W3036012327A5027050921 @default.
• W3036012327 hasAuthorship W3036012327A5031067302 @default.
• W3036012327 hasAuthorship W3036012327A5089269319 @default.
• W3036012327 hasConcept C147597530 @default.
• W3036012327 hasConcept C166940927 @default.
• W3036012327 hasConcept C178790620 @default.
• W3036012327 hasConcept C185592680 @default.
• W3036012327 hasConcept C2777108408 @default.
• W3036012327 hasConcept C2778984995 @default.
• W3036012327 hasConcept C2779476700 @default.
• W3036012327 hasConcept C2779578285 @default.
• W3036012327 hasConcept C2781171952 @default.
• W3036012327 hasConcept C31903555 @default.
• W3036012327 hasConcept C521977710 @default.
• W3036012327 hasConcept C59593255 @default.
• W3036012327 hasConcept C71240020 @default.
• W3036012327 hasConcept C8868529 @default.
• W3036012327 hasConceptScore W3036012327C147597530 @default.
• W3036012327 hasConceptScore W3036012327C166940927 @default.
• W3036012327 hasConceptScore W3036012327C178790620 @default.
• W3036012327 hasConceptScore W3036012327C185592680 @default.
• W3036012327 hasConceptScore W3036012327C2777108408 @default.
• W3036012327 hasConceptScore W3036012327C2778984995 @default.
• W3036012327 hasConceptScore W3036012327C2779476700 @default.
• W3036012327 hasConceptScore W3036012327C2779578285 @default.
• W3036012327 hasConceptScore W3036012327C2781171952 @default.
• W3036012327 hasConceptScore W3036012327C31903555 @default.
• W3036012327 hasConceptScore W3036012327C521977710 @default.
• W3036012327 hasConceptScore W3036012327C59593255 @default.
• W3036012327 hasConceptScore W3036012327C71240020 @default.

• next