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Diabetes is a disease found in every 1 out of 4 people in the world. The glucose molecule is one of the sources of energy in the body and the lack of the digestion of glucose causes diabetes type 1 and type 2. Arginine and cysteine are nonessential amino acids that contain sulfur and help maintain the metabolisms of humans. We explored the glucose-arginine (Glc-arg) and glucose-cysteine (Glc-cys) molecules by finding their structural properties, electronic properties, chemical reactivity, mechanical strength, and transport properties because these non-essential amino acid molecules inhibit glucose-stimulated insulin secretion. Density functional theory (DFT) has been implemented to study all the properties of Glc-arg and Glc-cys using SIESTA software. Glucose-arginine (Glc-arg) inhibits a large percentage of glucose secretion and shows high chemical reactivity.

Titel:	Effects of non-essential protein on D-glucose to control diabetes: DFT approach.
Autor/in / Beteiligte Person:	Tiwary, S ; Kumar, H ; Pateria, D ; Verma, ML
Zeitschrift:	Journal of molecular modeling, Jg. 28 (2022-01-25), Heft 2, S. 42
Veröffentlichung:	Berlin : Springer, c1996-, 2022
Medientyp:	academicJournal
ISSN:	0948-5023 (electronic)
DOI:	10.1007/s00894-021-05013-7
Schlagwort:	Biomarkers Cysteine analogs & derivatives Cysteine blood Cysteine chemistry Density Functional Theory Diabetes Mellitus blood Disease Management Glucose analogs & derivatives Glucose chemistry Humans Models, Molecular Molecular Conformation Molecular Structure Spectrum Analysis Treatment Outcome Amino Acids chemistry Blood Glucose Diabetes Mellitus diet therapy Diabetes Mellitus metabolism Dietary Proteins administration & dosage Dietary Proteins chemistry Glucose metabolism
Sonstiges:	Nachgewiesen in: MEDLINE Sprachen: English Publication Type: Journal Article Language: English [J Mol Model] 2022 Jan 25; Vol. 28 (2), pp. 42. <i>Date of Electronic Publication: </i>2022 Jan 25. MeSH Terms: Amino Acids* / chemistry ; Blood Glucose* ; Dietary Proteins* / administration & dosage ; Dietary Proteins* / chemistry ; Diabetes Mellitus / diet therapy ; Diabetes Mellitus / metabolism ; Glucose / metabolism ; Biomarkers ; Cysteine / analogs & derivatives ; Cysteine / blood ; Cysteine / chemistry ; Density Functional Theory ; Diabetes Mellitus / blood ; Disease Management ; Glucose / analogs & derivatives ; Glucose / chemistry ; Humans ; Models, Molecular ; Molecular Conformation ; Molecular Structure ; Spectrum Analysis ; Treatment Outcome References: Lojkova L, Vranová V, Formánek P, Drápelová I, Brtnicky M, Datta R (2020) Enantiomers of carbohydrates and their role in ecosystem interactions: a review. Symmetry 12:470. https://doi.org/10.3390/sym12030470. (PMID: 10.3390/sym12030470) ; João F. Lopes; Elvira M.S.M. Gaspar (2008). Simultaneous chromatographic separation of enantiomers, anomers and structural isomers of some biologically relevant monosaccharides. , 1188(1), 34 42. https://doi.org/10.1016/j.chroma.2007.12.016. ; Staden S-V, Raluca-Ioana; Mitrofan, Grigorina, (2018) Molecular enantiorecognition of l -glucose and d -glucose in whole blood samples. Chirality. https://doi.org/10.1002/chir.22843. (PMID: 10.1002/chir.22843) ; Tessari, Paolo; Lante, Anna; Mosca, Giuliano (2016). Essential amino acids: master regulators of nutrition and environmental footprint?. Sci Rep, 6(), 26074–. https://doi.org/10.1038/srep26074. ; Yang, Qingqing; Zhao, Dongsheng; Liu, Qiaoquan (2020). Connections between amino acid metabolisms in plants: lysine as an example. Front Plant Sci, 11(), 928–. https://doi.org/10.3389/fpls.2020.00928. ; Rose, (2019). Amino acid nutrition and metabolism in health and disease. Nutrients, 11(11), 2623–. https://doi.org/10.3390/nu11112623. ; Kohlmeier, Martin (2015). Nutrient metabolism \|\| amino acids and nitrogen compounds. , (), 265–477. https://doi.org/10.1016/B978-0-12-387784-0.00008-0. ; Staden R-I, Stefan-van; Popa-Tudor, Ioana; Ionescu-Tirgoviste, Constantin; Stoica, Roxana-Adriana; Magerusan, Lidia, (2019) Molecular enantiorecognition of D- and L-glucose in urine and whole blood samples. J Electrochem Soc 166(9):B3109–B3115. https://doi.org/10.1149/2.0211909jes. (PMID: 10.1149/2.0211909jes) ; Asiimwe, Debrah; Mauti, Godfrey O.; Kiconco, Ritah (2020). Prevalence and risk factors associated with type 2 diabetes in elderly patients aged 45–80 years at Kanungu District. J Diabetes Res, 2020(), 1–5. https://doi.org/10.1155/2020/5152146. ; Chiang JL, Kirkman M, Sue; Laffel, Lori M.B., Peters, Anne L. (2014) Type 1 diabetes through the life span: a position statement of the American Diabetes Association. Diabetes Care 37(7):2034–2054. https://doi.org/10.2337/dc14-1140. (PMID: 10.2337/dc14-1140249357755865481) ; Olokoba AB, Obateru OA, Olokoba LB (2012) Type 2 diabetes mellitus: a review of current trends. Oman Med J 27(4):269–273. https://doi.org/10.5001/omj.2012.68. (PMID: 10.5001/omj.2012.68230718763464757) ; Lund, Marianne N.; Ray, Colin (2017). Control of Maillard reactions in foods: strategies and chemical mechanisms. Journal of Agricultural and Food Chemistry, (), acs.jafc.7b00882–. https://doi.org/10.1021/acs.jafc.7b00882. ; Hemmler, Daniel; Roullier-Gall, Chloé; Marshall, James W.; Rychlik, Michael; Taylor, Andrew J.; Schmitt-Kopplin, Philippe (2018). Insights into the chemistry of non-enzymatic browning reactions in different ribose-amino acid model systems. Scientific Reports, 8(1), 16879–. https://doi.org/10.1038/s41598-018-34335-5. ; Lucotti, P.; Setola, E.; Monti, L. D.; Galluccio, E.; Costa, S.; Sandoli, E. P.; Fermo, I.; Rabaiotti, G.; Gatti, R.; Piatti, P. (2006). Beneficial effects of a long-term oral L-arginine treatment added to a hypocaloric diet and exercise training program in obese, insulin-resistant type 2 diabetic patients. AJP: Endocrinol Metab, 291(5), E906–E912. https://doi.org/10.1152/ajpendo.00002.2006. ; Sogut, Ece; Ertekin Filiz, Bilge; Seydim, Atif Can (2020). A model system based on glucose arginine to monitor the properties of Maillard reaction products. J Food Sci Technol, (), –. https://doi.org/10.1007/s13197-020-04615-y. ; Sushil K. Jain; Thirunavukkarasu Velusamy; Jennifer L. Croad; Justin L. Rains; Rebeca Bull (2009). l-Cysteine supplementation lowers blood glucose, glycated hemoglobin, CRP, MCP-1, and oxidative stress and inhibits NF-κB activation in the livers of Zucker diabetic rats. , 46(12), 1633–1638. https://doi.org/10.1016/j.freeradbiomed.2009.03.014. ; Kaneko Y, Kimura Y, Kimura H, Niki I (2006) L-cysteine inhibits insulin release from the pancreatic -cell: possible involvement of metabolic production of hydrogen sulfide, a novel gasotransmitter. Diabetes 55(5):1391–1397. https://doi.org/10.2337/db05-1082. (PMID: 10.2337/db05-108216644696) ; Artacho, Emilio; Gale, Julian D; Soler, José M; García, Alberto; Junquera, Javier; Ordejón, Pablo; Sánchez-Portal, Daniel (2002). The SIESTA method for ab initio order- N materials simulation. , 14(11), 2745–2779. https://doi.org/10.1088/0953-8984/14/11/302. ; Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple 77(18):3865–3868. https://doi.org/10.1103/physrevlett.77.3865. (PMID: 10.1103/physrevlett.77.3865) ; Ednara Joice Braga 1 , Brena Tabosa Corpe 1 , Márcia Machado Marinho 2 , Emmanuel Silva Marinho, Molecular electrostatic potential surface, HOMO–LUMO, and computational analysis of synthetic drug Rilpivirine, Int J Sci Eng Res, Volume 7, Issue 7, July-2016, ISSN 2229–5518. ; Kurt Stokbro; Jeremy Taylor; Mads Brandbyge; Pablo Ordejón (2003). TranSIESTA: a spice for molecular electronics. , 1006(none), 212–226. https://doi.org/10.1196/annals.1292.014. ; Banger, Suman; Nayak, Vikas; Verma, U. P. (2017). AIP Conference Proceedings [Author(s) DAE SOLID STATE PHYSICS SYMPOSIUM 2016 - Bhubaneswar, Odisha, India (26–30 December 2016)] - cohesive energy of KH+nH (n=0, 2, 6, 8): a DFT study. , 1832(), 140003–. https://doi.org/10.1063/1.4980785. ; Mole, Susan J.; Zhou, Xuefeng; Liu, Ruifeng (1996). Density Functional Theory (DFT) study of enthalpy of formation. 1. Consistency of DFT energies and atom equivalents for converting DFT energies into enthalpies of formation. J Phys Chem, 100(35), 14665–14671. https://doi.org/10.1021/jp960801h. ; Pokharia, Sandeep; Joshi, Rachana; Pokharia, Mamta; Yadav, Swatantra Kumar; Mishra, Hirdyesh (2016). A density functional theory insight into the structure and reactivity of diphenyltin(IV) derivative of glycylphenylalanine. Main Group Met Chem, 39(3–4), –. https://doi.org/10.1515/mgmc-2016-0009. ; Matczak, Piotr (2016). A test of various partial atomic charge models for computations on diheteroaryl ketones and thioketones. Computation, 4(1), 3–. https://doi.org/10.3390/computation4010003. ; Fonseca C, Guerra; Jan-Willem Handgraaf; Evert Jan Baerends; F. Matthias Bickelhaupt, (2004) Voronoi deformation density (VDD) charges: Assessment of the Mulliken. Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis 25(2):189–210. https://doi.org/10.1002/jcc.10351. (PMID: 10.1002/jcc.10351) ; Amaku Friday James, Otuokere Ifeanyi Edozie, Theoretical approach on structural aspects of a potent, selective, orally bioavailable hedgehog antagonist, 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide, Indian J Adv Chem Sci 4(1) (2016) 31–35. ; Thakur V, Kumar N, Rao BK, Verma ML, Sahu HD, Verma S, Choubey AK (2021) Density functional study on hybrid graphene/h-BN 2D sheets. Physica E 133:114812. https://doi.org/10.1016/j.physe.2021.11481. (PMID: 10.1016/j.physe.2021.11481) ; S Verma, A Kumar, H Kumar, R Baghel, N Goel, ML Verma, Ab-initio modelling for gas sensor device: based on Y-doped SnS2 monolayer Physica E: Low-dimensional Systems and Nanostructures 135, 114962, 2022, https://doi.org/10.1016/j.physe.2021.114962. ; Perdew JP, Parr RG, Levy M, Balduz JL (1982) Density-functional theory for fractional particle number: derivative discontinuities of the energy. Phys Rev Lett 49(23):1691–1694. https://doi.org/10.1103/PhysRevLett.49.1691. ; Chattaraj P, Kumar; Chakraborty, Arindam; Giri, Santanab, (2009) Net electrophilicity. J Phys Chem A 113(37):10068–10074. https://doi.org/10.1021/jp904674x. ; Gázquez JL, Cedillo A, Vela A (2007) Electrodonating and Electroaccepting Powers. J Phys Chem A 111(10):1966–1970. https://doi.org/10.1021/jp065459f. (PMID: 10.1021/jp065459f17305319) ; Singh, Anshika N.; Baruah, Meghna M.; Sharma, Neeti (2017). Structure Based docking studies towards exploring potential anti-androgen activity of selected phytochemicals against prostate cancer. Sci Rep, 7(1), 1955–. https://doi.org/10.1038/s41598-017-02023-5. ; Thakur, Vishal; Kumar, Narender; Verma, Mohan L.; Choubey, Anil Kumar; Verma, Swati; Chettri, Bhanu; Sahu, Homendra D.; Rao, B. Keshav (2020). Density functional study on hybrid h-BN/graphene atomic chains. Physica E: Low-dimensional Systems and Nanostructures, 124(), 114316–. https://doi.org/10.1016/j.physe.2020.114316. ; Moth-Poulsen K, Bjørnholm T (2009) Molecular electronics with single molecules in solid-state devices 4(9):551–556. https://doi.org/10.1038/nnano.2009.176. (PMID: 10.1038/nnano.2009.176) ; S. M. Lindsay; M. A. Ratner (2007). Molecular transport junctions: clearing mists. , 19(1), 23 31. https://doi.org/10.1002/adma.200601140. Contributed Indexing: Keywords: Amino acids; Density functional theory; Diabetes; Glc-arg; Glc-cys; SIESTA Substance Nomenclature: 0 (Amino Acids) ; 0 (Biomarkers) ; 0 (Blood Glucose) ; 0 (Dietary Proteins) ; 38325-69-8 (glucose-cysteine) ; IY9XDZ35W2 (Glucose) ; K848JZ4886 (Cysteine) Entry Date(s): Date Created: 20220125 Date Completed: 20220330 Latest Revision: 20220330 Update Code: 20240513

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Effects of non-essential protein on D-glucose to control diabetes: DFT approach.