Biological in silico effects of ω-3 and its derivates during pregnancy and postpartum
DOI:
https://doi.org/10.31686/ijier.vol10.iss4.3702Keywords:
DHA, EPA, in silico, molecular docking, pregnancyAbstract
Pregnancy is a crucial time for the development of fetal health, so the mother’s diet must be healthy and balanced. Omega-3 is one of the most important nutrients during this time, as it has beneficial effects for both the mother and the fetus. The aim of this article is to evaluate the in silico biological effects of omega-3 and its derivatives during pregnancy and postpartum, using online software and molecular docking tools. These have been shown to be beneficial to the fetus, especially in the first trimester of pregnancy.
References
An WS, et al. Omega-3 fatty acid supplementation attenuates oxidative stress, inflammation, and tubulointerstitial fibrosis in the remnant kidney. Am J Physiol Renal Physiol 2009; 297:895-903. DOI: https://doi.org/10.1152/ajprenal.00217.2009
Araújo DAC, et al. Gestação de alto-risco: prevalência de patologias e complicações materno-fetais. J Bras Ginecol 1996; 106(8):315-320.
Bazan NG. Cell survival matters: docosahexaenoic acid signaling, neuroprotection and photoreceptors. Trends Neurosci 2006; 29:263-271. DOI: https://doi.org/10.1016/j.tins.2006.03.005
Innis SM. Dietary (n-3) fatty acid and brain development. J Nutr 2007; 137:855-859. DOI: https://doi.org/10.1093/jn/137.4.855
Balendiran GK, el tal. Crystal structure thermodynamic analysis of human brain fatty acid-binding protein. J Biol Chem 2000; 27045-27054. DOI: https://doi.org/10.1016/S0021-9258(19)61478-X
Belayev L, et al. Docosahexaenoic acid therapy of experimental ischemic stroke. Transl Stroke Res 2011; 2(1):33–41. DOI: https://doi.org/10.1007/s12975-010-0046-0
Belayev L, et al. A novel therapeutic strategy for experimental stroke using docosahexaenoic acid complexed to human albumin. Oilseeds fats Crops Lipids 2015; 23(1):1–6. DOI: https://doi.org/10.1051/ocl/2015023
Castro-Rodríguez DC, et al. Maternal interventions to prevent adverse fetal programming outcomes due to maternal malnutrition: Evidence in animal models. Placenta 2020; 102:49-54. DOI: https://doi.org/10.1016/j.placenta.2020.04.002
Costa NMB, Rosa COB. Alimentos funcionais – componentes bioativos e efeitos fisiológicos. Rio de Janeiro: Roca; 2010.
Cunningham P, McDermott L. Long Chain PUFA Transport in Human Term Placenta. J Nutr 2009; 139(4):636-639. DOI: https://doi.org/10.3945/jn.108.098608
Delano WL. Use of PyMOL as a communications tool for molecular science. J Am Chem Soc 2004; 228:U228-U230.
Duttaroy AK. Transport of fatty acids across the human placenta: a review. Prog Lipid Res 2009; 48(1):52-61. DOI: https://doi.org/10.1016/j.plipres.2008.11.001
Eady TN, et al. Docosahexaenoic acid signaling modulates cell survival in
experimental ischemic stroke penumbra and initiates long-term repair in young and
aged rats. PLoS One 2012; 7(10).
Gil-Sánchez A, et al. Current undestanding of placental fatty acid transport. Curr Opin Clin Nutr Metab Care 2012; 15(3):265-72. DOI: https://doi.org/10.1097/MCO.0b013e3283523b6e
Golding J, et al. High levels of depressive symptoms in pregnancy with low omega-3 fatty acid intake from fish. Epidemiol 2009; 20(4):598-603. DOI: https://doi.org/10.1097/EDE.0b013e31819d6a57
Greenberg JÁ, et al. Omega-3 fatty acid supplementation during pregnancy. Rev Obstet Gynecol 2008; 1(4):162–169.
Harris WS, Baack ML. Beyond building better brains: bridging the docosahexaenoic acid (DHA) gap of prematury. Am J Perinatol 2015; 35:1-7. DOI: https://doi.org/10.1038/jp.2014.195
Hong SH, et al. Docosahexaenoic acid improves behavior and attenuates blood–
brain barrier injury induced by focal cerebral ischemia in rats. Exp Transl Stroke Med 2015; 7(1):3. DOI: https://doi.org/10.1186/s13231-014-0012-0
Hosseini B, et al. The effect of omega-3 fatty acids, epa, and/or dha on male infertility: a systematic review and meta-analysis. J Diet Suppl 2019; 16(2): 245-256. DOI: https://doi.org/10.1080/19390211.2018.1431753
Innis SM. Dietary (n-3) fatty acid and brain development. J Nutr 2007a; 137:855-859. DOI: https://doi.org/10.1093/jn/137.4.855
Innis SM. Fatty acids and early human development. Early Hum Dev 2007b; 83(12):761-766. DOI: https://doi.org/10.1016/j.earlhumdev.2007.09.004
Innis SM. Impact of maternal diet on human milk composition and neurological development of infants. J Clin Nutr 2014; 99(3):734S-741S. DOI: https://doi.org/10.3945/ajcn.113.072595
Janssen CIF, Kiliaan AJ. Long-chain polyunsaturated fatty acid (LCPUFA) from genesis to senescence: the influence of LCPUFA on neuronal development, aging, and neurodegeneration. Prog Lipid Res 2014; 53:1-17. DOI: https://doi.org/10.1016/j.plipres.2013.10.002
Lager S, et al. Protein expression of fatty acid transporter 2 is polarized to the trophoblast basal plasma membrane and increased in placentas from overweight/obese women. Placenta 2016; 40:60-66. DOI: https://doi.org/10.1016/j.placenta.2016.02.010
Lee HS, et al. Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors. J Chem Inf Model 2012; 52(7):1821–1832. DOI: https://doi.org/10.1021/ci3000997
Lipinski, CA, Lombardo F, Dominy BW, Feeney OS. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 1997; 23:3-25. DOI: https://doi.org/10.1016/S0169-409X(96)00423-1
Lipinski, CA. Lead and drug-like compounds: the rule-of-five revolution. Drug Discov Today: Technol 2004; 1(4), 337-341. DOI: https://doi.org/10.1016/j.ddtec.2004.11.007
Lucke C, et al. Spin-system heterogeneities indicate a selected-fit mechanism in fatty acid binding to heart-type fatty acid-binding protein (H-FABP).
Lynch T, Price A. The effect of cytochrome P450 metabolism on drug response, interactions, and adverse effects. Am Fam Physician 2007; 76(3):391-396.
Moda TL. Desenvolvimento de modelos in sílico de propriedades de ADME para triagem de novos candidatos a fármacos [dissertação]. São Carlos (SP): Universidade de São Paulo; 2007.
Pan Y, et al. Fatty Acid-Binding Protein 5 Facilitates the Blood–Brain Barrier Transport of Docosahexaenoic Acid. Mol Pharm 2015; 12(12):4375-4385. DOI: https://doi.org/10.1021/acs.molpharmaceut.5b00580
Park K, et al. ω-6 (18:2) and ω-3 (18:3) fatty acids in reconstituted high-density lipoproteins show different functionality of anti-atherosclerotic properties and embryotoxicity. J Nutri Biochem 2015; 26(12):1613-1621. DOI: https://doi.org/10.1016/j.jnutbio.2015.08.008
Pereira WL. Síntese e avaliação das atividades fitotóxica e antiproliferativa de isobenzofuran-1(3H)-onas C-3 funcionalizadas [dissertação]. Viçosa (MG): Universidade Federal de Viçosa; 2013.
Quiroga R, Villarreal MA. Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening. Ed. Heinrich Sticht. PLoS One 2016; 67 e0155183. DOI: https://doi.org/10.1371/journal.pone.0155183
Raschka S. Molecular docking, estimating free energies of binding, and AutoDock's semi-empirical force field. ResearchGate 2014.
Salari Z, et al. Embryo-toxicity of docosahexaenoic and eicosapentaenoic acids: In vivo and in silico investigations using the chick embryo model. Biomed Pharmacother 2021; 136:111218. DOI: https://doi.org/10.1016/j.biopha.2021.111218
Schunck, WH, et al. Therapeutic potential of omega-3 fatty acid-derived epoxyeicosanoids in cardiovascular and inflammatory diseases. Pharmacol Therapeut 2018; 183:177–204. DOI: https://doi.org/10.1016/j.pharmthera.2017.10.016
Scorletti E, Byrne CD. Omega-3 fatty acids and non-alcoholic fatty liver disease: evidence of efficacy and mechanism of action. Mol Aspects Med 2018; 64: 135-146. DOI: https://doi.org/10.1016/j.mam.2018.03.001
Shityakov S, Forster C. In silico predictive model to determine vector-mediated transport properties for the blood-brain barrier choline transporter. Adv Appl Bioinform Chem 2014; 7:23-36. DOI: https://doi.org/10.2147/AABC.S63749
Silva, VB. Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes [dissertação]. Ribeirão Preto (SP): Faculdade de Ciências Farmacêuticas de Ribeirão Preto; 2007.
Souza SD. Estudo de colinesterases aplicando técnicas de QSAR-2D (QSAR) e docking molecular [tese]. Rio de Janeiro (RJ): Faculdade de Farmácia da Universidade Federal do Rio de Janeiro; 2012.
Storch J, Corsico B. The emerging functions and mechanisms of mammalian fatty acidbinding proteins. Annu Rev Nutr 2008; 28:73-95. DOI: https://doi.org/10.1146/annurev.nutr.27.061406.093710
Tracy TS, et al. Temporal changes in drug metabolism (CYP1A2, CYP2D6 and CYP3A Activity) during pregnancy. Am J Obstet Gynecol 2005; 192(2):633-639. DOI: https://doi.org/10.1016/j.ajog.2004.08.030
Travassos GH, Barros MO. Contributions of in virtuo and in sílico experiments for the future of empirical studies in software engineering. Proceedings of the WSESE03 2003; 189-200.
Trott O, Olson AJ. AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization and Multithreading. J Comput Chem 2010; 31(2):455-461. DOI: https://doi.org/10.1002/jcc.21334
Trotta RJ, et al. Effects of nutrient restriction and melatonin supplementation from mid-to-late gestation on maternal and fetal small intestinal carbohydrase activities in sheep. Domest Anim Endocrinol 2021; 74:106555. DOI: https://doi.org/10.1016/j.domaniend.2020.106555
Wilkinson GR. Drug metabolism and variability among patients in drug response. N Engl J Med 2005; 352(21):2211–2221. DOI: https://doi.org/10.1056/NEJMra032424
Zhang T, et al. Health benefits of dietary marine DHA/EPA-enriched glycerophospholipid. Prog Lipid Res 2019; 75:100997. DOI: https://doi.org/10.1016/j.plipres.2019.100997
Published
Issue
Section
License
Copyright (c) 2022 Luisa Donato Bortoluzzi, Walter Paixão de Sousa Filho, Kássia Caroline Figueredo, Michele Rorato Sagrillo
This work is licensed under a Creative Commons Attribution 4.0 International License.
Copyrights for articles published in IJIER journals are retained by the authors, with first publication rights granted to the journal. The journal/publisher is not responsible for subsequent uses of the work. It is the author's responsibility to bring an infringement action if so desired by the author for more visit Copyright & License.
How to Cite
Accepted 2022-03-23
Published 2022-04-01
Most read articles by the same author(s)
- Jiames Nunes Barcellos, Márcia da Silva Schmitz, Michele Rorato Sagrillo, Liana da Silva Fernandes, Production, characterization and biological evaluation of nanocapsules containing tricresol formalin and their comparison with the free form , International Journal for Innovation Education and Research: Vol. 9 No. 11 (2021): International Journal for Innovation Education and Research
- Aline Rossato, Larissa da Silva Silveira, Pâmella Scharamm Oliveira, Thobias Toniolo de Souza, Ana Paula Becker, Roger Wagner, Bruna Klein, Walter Paixão de Souza Filho, Roberto Christ Vianna dos Santos, Diego de Souza, Matheus Dellaméa Baldissera, Michele Rorato Sagrillo, Safety profile, antimicrobial and antibiofilm activities of a nanostructured lipid carrier containing oil and butter from Astrocaryum vulgare: in vitro studies , International Journal for Innovation Education and Research: Vol. 9 No. 5 (2021): International Journal for Innovation Education and Research
- Larissa da Silva Silveira, Aline Rossato, Pâmella Scharamm Oliveira, Elisandra da Silva Pena da Fonseca, Luísa Donato Bortoluzzi, Wanessa de Carvalho Vieira, Guilherme Chagas Kurtz, Walter Paixão de Souza Filho, Diego de Souza, Liana da Silva Fernandes, Michele Sagrillo, Analysis of antimicrobial, antibiofilm, and healing activity of lipid nanocarriers based on Tucuman butter (Astrocaryum vulgare), fixed oils from microalgae chlorella Homosphaera and from UVA seed Vitis vinifera , International Journal for Innovation Education and Research: Vol. 10 No. 2 (2022): International Journal for Innovation Education and Research
- Josiane Fontoura dos Anjos, Heleno Carmo Borges Cabral, Michele Rorato Sagrillo, Éder Maiquel Simão, Presentation of the levels of Gene Expression of Titanium Dioxide Nanoparticles in Caco-2/HT29-MTX, SAE, and THP-1 cells, using Bioinformatics tools (in silico) , International Journal for Innovation Education and Research: Vol. 10 No. 7 (2022): International Journal for Innovation Education and Research