Research Article
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A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils

Year 2019, , 86 - 91, 15.12.2019
https://doi.org/10.33435/tcandtc.543411

Abstract

The
natural active compounds in Oregano essential oils are extremely beneficial for
human health and when used as a drug for treatment. In this study, we have
examined the two main Oregano essential oils Thymol and Carvacrol. These oils
have many functions; predominantly, in biochemical reactions in metabolism. In
our research, we theoretically investigated the chemical activities of
Carvacrol and Thymol by using B3LYP/6-31G(d,p) method in the gas, water, and
blood phases. The point at which ethanol was used as a solvent was important to
the study outcome; hence, in this study; the researchers determined the
effective rate of Carvacrol with ethanol to explain the interaction mechanism.

References

  • [1] Norberg A, Jones AW, Hahn RG, Gabrielsson JL., Role of variability in explaining ethanol pharmacokinetics: research and forensic applications, Research And Forensic Applications, Clin Pharmacokinet., 42: (2003) 1–31. [2] Marchler-Bauer A1, Lu S, Anderson JB, Chitsaz F, Derbyshire MK, DeWeese-Scott C, Fong JH, Geer LY, Geer RC, Gonzales NR, Gwadz M, Hurwitz DI, Jackson JD, Ke Z, Lanczycki CJ, Lu F, Marchler GH, Mullokandov M, Omelchenko MV, Robertson CL, Song JS, Thanki N, Yamashita RA, Zhang D, Zhang N, Zheng C, Bryant SH., Conserved Domain Database for the functional annotation of proteins, Nucleic Acids Res., 39, (2011) 225-229.[3] Norberg A, Jones Aw, Hahn Rg, Gabrıelsson JL., Conserved Domain Database for the functional annotation of proteins, Clin Pharmacokinet, 42(1) (2003) 1-1.
  • [4] Frezza M. D., Padova C, Pozzato G, Terpın M, Baraona E, Lıeber C., N., High Blood Alcohol Levels İn Women, The Role Of Decreased Gastric Alcohol Dehydrogenase Activity And First-Pass Metabolism, Engl J Med., 322(2) (1990) 95-9. [5] Agarwal D.P., Genetic Polymorphisms Of Alcohol Metabolizing Enzymes, Pathol Biol., 49(9): (2001) 703-9. [6] Caro A., Cederbaum A., Oxidative Stress Toxicology And Pharmacology Of CYP2E1, Annu Rev Pharmacol Toxicol, 44, (2004) 27-42. [7] Azırak, S., PhD Thesis, Department of Biology, In Vivo Effects of carvacrol and thymol Investigation of genotoxic, (2007)122p. [8] Çetin, T., ve Yıldız, G., Possibilities of Using Essential Oils as Feed Additives, Feed Magazine,38: (2004) 41-47.[9] Başer, K.H.C., Biological and Pharmocological Activities of Karvakrol Bearing Essential Oils , Corr Pharm.Des., 14(29): (2008)3106-19.[10] Yanishlieva, N.V., Antioxidant activity and Mechanısm of Action of Timol and Carvakrol in Two Lipid Systems, Food Chemistry, 64, (1999),59-66.[11] Lee, J., Jung, E., Yu, H., Kim, Y., Ha, J., Kim, Y.S., and Park, D., Mechanisms of carvacrol-induced expression of type I collagen gene , Journol Of Dermotological Science, 52, (2008); 169.[12] Canbek, M., Uyanoğlu, M., Bayramoglu, G., Senturka, H., Erkasap, N., Kokenc, T., Uslu, S., Demirustu, C., Aral, E., ve Baser, K.H.C., Effects Of Carvacrol On Defects Of Ischemia-Reperfusion In The Rat Liver, Phytomedicine, (2008) 447-452.[13] Wilkinson PK, Sedman AJ, Sakmar E, Kay DR, Wagner JG., Pharmacokinetics of ethanol after oral administration in the fasting state, J. Pharmacokinet. Biopharm., 5: (1977);207–24.[14] Holford NH.,Clinical pharmacokinetics of ethanol , Clin. Pharmacokinet., 13: (1987) 273–92.[15] O’Neill B., Williams A.F., Dubowski K.M.., Variability in blood alcohol concentrations. Implications for estimating individual results, J. Stud. Alcohol. 44: (1983) 222–30.[16] Dubowski K.M., Absorption, distribution and elimination of alcohol: highway safety aspects, J. Stud Alcohol Suppl., 10: (1985); 98–108. [17] Sedman A.J., Wilkinson P.K., Sakmar E., Weidler D.J., Wagner J.G., Food effects on absorption and metabolism of alcohol, J. Stud Alcohol, 37: (1976) 1197–214.[18] Frezza M, di Padova C, Pozzato G, Terpin M, Baraona E, Lieber CS. High blood alcohol levels in women. The role of decreased gastric alcohol dehydrogenase activity and first-pass metabolism, Clin Pharmacol Ther., 322: (1990) 95–99.[19] Ammon E, Schafer C, Hofmann U, Klotz U. Disposition and first-pass metabolism of ethanol in humans: is itgastric or hepatic and does it depend on gender, Clin. Pharmacol Ther., 59: (1996) 503–13.[20] Lieber CS., Microsomal ethanol-oxidizing system (MEOS): the fi rst 30 years (1968–1998)–a review, Alcohol Clin Exp Res., 23: (1999) 991–1007.[21] Agarwal DP., Pathol Biol., Genetic polymorphisms of alcohol metabolizing enzymes, (2001) 49:703–9.[22] Ramchandani VA, Bosron WF, Li TK., Research advances in ethanol metabolism, Pathol Biol., 49: (2001);676–82.[23] Hurley TD, Edenberg HJ, Li TK., In: Licinio J, Wong ML, Weinheim: Wiley-VCH..Pharmacogenomics: the search for individualized therapeutics, Pharmacogenetics of alcoholism, (2002) p. 417–41.[24] Peng GS, Yin JH, Wang MF, Lee JT, Hsu YD, Yin SJ., Assoc. Alcohol sensitivity in Taiwanese men with different alcohol and aldehyde dehydrogenase genotypes, J. Formos Med. 101: (2002) 769–74.[25] Ramchandani V.A., Kwo P.Y., Li T.K., Effect of food and food composition on alcohol elimination rates in healthy men and women, J. Clin. Pharmacol. 41: (2001) 1345–50.[26] McCarthy D.M., Pedersen S.L., Lobos E.A., Todd R.D., Wall T.L., Res., ADH1B*3 and response to alcohol in African-Americans, Alcohol Clin. Exp. 34: (2010) 1274–81.[27] Kimura M, Higuchi S., Genetics of alcohol dependence, Psychiatry Clin. Neurosci 65: (2011) 213–25.[28] Gizer I.R, Edenberg H.J., Gilder D.A., Wilhelmsen K.C., Ehlers C.L., Association of alcohol dehydrogenase genes withalcohol-related phenotypes in a Native American community sample, Alcohol Clin. Exp.Res., 35: (2011) 2008–18.[29] Gökalp, F., An investigation of the olive phenols activity as a natural medicine (HF), Joururnal of Food and Drug Analysis, 2 6, (2 0 1 8) 6 5 7 -6 6 1.[30] Aksoy, A., Effects of Carvacrol on Alcoholic Rat Liver, M.Sc. Thesis, Osmangazi Ü. Science Ens., (2007) 108 p.
Year 2019, , 86 - 91, 15.12.2019
https://doi.org/10.33435/tcandtc.543411

Abstract

References

  • [1] Norberg A, Jones AW, Hahn RG, Gabrielsson JL., Role of variability in explaining ethanol pharmacokinetics: research and forensic applications, Research And Forensic Applications, Clin Pharmacokinet., 42: (2003) 1–31. [2] Marchler-Bauer A1, Lu S, Anderson JB, Chitsaz F, Derbyshire MK, DeWeese-Scott C, Fong JH, Geer LY, Geer RC, Gonzales NR, Gwadz M, Hurwitz DI, Jackson JD, Ke Z, Lanczycki CJ, Lu F, Marchler GH, Mullokandov M, Omelchenko MV, Robertson CL, Song JS, Thanki N, Yamashita RA, Zhang D, Zhang N, Zheng C, Bryant SH., Conserved Domain Database for the functional annotation of proteins, Nucleic Acids Res., 39, (2011) 225-229.[3] Norberg A, Jones Aw, Hahn Rg, Gabrıelsson JL., Conserved Domain Database for the functional annotation of proteins, Clin Pharmacokinet, 42(1) (2003) 1-1.
  • [4] Frezza M. D., Padova C, Pozzato G, Terpın M, Baraona E, Lıeber C., N., High Blood Alcohol Levels İn Women, The Role Of Decreased Gastric Alcohol Dehydrogenase Activity And First-Pass Metabolism, Engl J Med., 322(2) (1990) 95-9. [5] Agarwal D.P., Genetic Polymorphisms Of Alcohol Metabolizing Enzymes, Pathol Biol., 49(9): (2001) 703-9. [6] Caro A., Cederbaum A., Oxidative Stress Toxicology And Pharmacology Of CYP2E1, Annu Rev Pharmacol Toxicol, 44, (2004) 27-42. [7] Azırak, S., PhD Thesis, Department of Biology, In Vivo Effects of carvacrol and thymol Investigation of genotoxic, (2007)122p. [8] Çetin, T., ve Yıldız, G., Possibilities of Using Essential Oils as Feed Additives, Feed Magazine,38: (2004) 41-47.[9] Başer, K.H.C., Biological and Pharmocological Activities of Karvakrol Bearing Essential Oils , Corr Pharm.Des., 14(29): (2008)3106-19.[10] Yanishlieva, N.V., Antioxidant activity and Mechanısm of Action of Timol and Carvakrol in Two Lipid Systems, Food Chemistry, 64, (1999),59-66.[11] Lee, J., Jung, E., Yu, H., Kim, Y., Ha, J., Kim, Y.S., and Park, D., Mechanisms of carvacrol-induced expression of type I collagen gene , Journol Of Dermotological Science, 52, (2008); 169.[12] Canbek, M., Uyanoğlu, M., Bayramoglu, G., Senturka, H., Erkasap, N., Kokenc, T., Uslu, S., Demirustu, C., Aral, E., ve Baser, K.H.C., Effects Of Carvacrol On Defects Of Ischemia-Reperfusion In The Rat Liver, Phytomedicine, (2008) 447-452.[13] Wilkinson PK, Sedman AJ, Sakmar E, Kay DR, Wagner JG., Pharmacokinetics of ethanol after oral administration in the fasting state, J. Pharmacokinet. Biopharm., 5: (1977);207–24.[14] Holford NH.,Clinical pharmacokinetics of ethanol , Clin. Pharmacokinet., 13: (1987) 273–92.[15] O’Neill B., Williams A.F., Dubowski K.M.., Variability in blood alcohol concentrations. Implications for estimating individual results, J. Stud. Alcohol. 44: (1983) 222–30.[16] Dubowski K.M., Absorption, distribution and elimination of alcohol: highway safety aspects, J. Stud Alcohol Suppl., 10: (1985); 98–108. [17] Sedman A.J., Wilkinson P.K., Sakmar E., Weidler D.J., Wagner J.G., Food effects on absorption and metabolism of alcohol, J. Stud Alcohol, 37: (1976) 1197–214.[18] Frezza M, di Padova C, Pozzato G, Terpin M, Baraona E, Lieber CS. High blood alcohol levels in women. The role of decreased gastric alcohol dehydrogenase activity and first-pass metabolism, Clin Pharmacol Ther., 322: (1990) 95–99.[19] Ammon E, Schafer C, Hofmann U, Klotz U. Disposition and first-pass metabolism of ethanol in humans: is itgastric or hepatic and does it depend on gender, Clin. Pharmacol Ther., 59: (1996) 503–13.[20] Lieber CS., Microsomal ethanol-oxidizing system (MEOS): the fi rst 30 years (1968–1998)–a review, Alcohol Clin Exp Res., 23: (1999) 991–1007.[21] Agarwal DP., Pathol Biol., Genetic polymorphisms of alcohol metabolizing enzymes, (2001) 49:703–9.[22] Ramchandani VA, Bosron WF, Li TK., Research advances in ethanol metabolism, Pathol Biol., 49: (2001);676–82.[23] Hurley TD, Edenberg HJ, Li TK., In: Licinio J, Wong ML, Weinheim: Wiley-VCH..Pharmacogenomics: the search for individualized therapeutics, Pharmacogenetics of alcoholism, (2002) p. 417–41.[24] Peng GS, Yin JH, Wang MF, Lee JT, Hsu YD, Yin SJ., Assoc. Alcohol sensitivity in Taiwanese men with different alcohol and aldehyde dehydrogenase genotypes, J. Formos Med. 101: (2002) 769–74.[25] Ramchandani V.A., Kwo P.Y., Li T.K., Effect of food and food composition on alcohol elimination rates in healthy men and women, J. Clin. Pharmacol. 41: (2001) 1345–50.[26] McCarthy D.M., Pedersen S.L., Lobos E.A., Todd R.D., Wall T.L., Res., ADH1B*3 and response to alcohol in African-Americans, Alcohol Clin. Exp. 34: (2010) 1274–81.[27] Kimura M, Higuchi S., Genetics of alcohol dependence, Psychiatry Clin. Neurosci 65: (2011) 213–25.[28] Gizer I.R, Edenberg H.J., Gilder D.A., Wilhelmsen K.C., Ehlers C.L., Association of alcohol dehydrogenase genes withalcohol-related phenotypes in a Native American community sample, Alcohol Clin. Exp.Res., 35: (2011) 2008–18.[29] Gökalp, F., An investigation of the olive phenols activity as a natural medicine (HF), Joururnal of Food and Drug Analysis, 2 6, (2 0 1 8) 6 5 7 -6 6 1.[30] Aksoy, A., Effects of Carvacrol on Alcoholic Rat Liver, M.Sc. Thesis, Osmangazi Ü. Science Ens., (2007) 108 p.
There are 2 citations in total.

Details

Primary Language English
Journal Section Research Article
Authors

Faik Gökalp 0000-0003-4363-3839

Temir Ali Demir This is me

Publication Date December 15, 2019
Submission Date March 22, 2019
Published in Issue Year 2019

Cite

APA Gökalp, F., & Demir, T. A. (2019). A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils. Turkish Computational and Theoretical Chemistry, 3(2), 86-91. https://doi.org/10.33435/tcandtc.543411
AMA Gökalp F, Demir TA. A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils. Turkish Comp Theo Chem (TC&TC). December 2019;3(2):86-91. doi:10.33435/tcandtc.543411
Chicago Gökalp, Faik, and Temir Ali Demir. “A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils”. Turkish Computational and Theoretical Chemistry 3, no. 2 (December 2019): 86-91. https://doi.org/10.33435/tcandtc.543411.
EndNote Gökalp F, Demir TA (December 1, 2019) A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils. Turkish Computational and Theoretical Chemistry 3 2 86–91.
IEEE F. Gökalp and T. A. Demir, “A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils”, Turkish Comp Theo Chem (TC&TC), vol. 3, no. 2, pp. 86–91, 2019, doi: 10.33435/tcandtc.543411.
ISNAD Gökalp, Faik - Demir, Temir Ali. “A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils”. Turkish Computational and Theoretical Chemistry 3/2 (December 2019), 86-91. https://doi.org/10.33435/tcandtc.543411.
JAMA Gökalp F, Demir TA. A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils. Turkish Comp Theo Chem (TC&TC). 2019;3:86–91.
MLA Gökalp, Faik and Temir Ali Demir. “A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils”. Turkish Computational and Theoretical Chemistry, vol. 3, no. 2, 2019, pp. 86-91, doi:10.33435/tcandtc.543411.
Vancouver Gökalp F, Demir TA. A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils. Turkish Comp Theo Chem (TC&TC). 2019;3(2):86-91.

Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)