Repository Universitas Pakuan

Detail Karya Ilmiah Dosen

Mohamad Amin, Nanda Hilda Khikmawati, Suryadi, Ihya Fakhrurizal Amin, Kodama Yayoi, Atmanto Heru Wibowo, Dina Maulina, Indriyani Rachman

Judul : Chemical interaction analysis of L-Theanine compounds from Camellia sinensis L. with kainate glutamate receptors and their toxicity effect as anti autism candidates based on in silico

Abstrak :
Autism is a neuropsychiatric disease, one of the causes of autism is damage to neurons. L-Theanine is a bioactive compound in Camellia sinensis L.which is analogous to L-Glutamate Acid structure and its neuroprotective effect. This study aimed to analyze the binding side of L-Theanine and L-Glutamate Acid to the kainate of glutamate receptor protein to determine and the effectiveness of its inhibitor function. Toxicity analysis is also used to determine the suitability of compounds as bioactive components to be consumed orally. The method used to analyze the interaction of compounds with target proteins is reverse docking. Toxicity analysis using the Toxtree 2.6.13 and collection of information from the Human Metabolome Database. The docking shows that L-Glutamate Acid and L-Theanine have the same site in the ionotropic Glutamate receptor protein, kainate1. The residual groups of the two compounds when binding to the similar glutamate receptor protein are THR (A: 91), GLU (A: 191), and ARG (A: 96). The binding affinity of the two compounds is almost the same, namely -5.0 kcal/mol for L-Glutamate Acid and -4.9 kcal/mol for L-Theanine. This allows L-Theanine to act as an inhibitor that blocks L-Glutamate Acid from binding to glutamate receptors on prostsynap membranes. The compound docking results show that L-Theanine has four bond side residues that are the same as the same L-Glutamate Acid and binding affinity of -5.0 kcal/mol. Analysis with the principle of RO5 Lipinski is known that L-Theanine compounds have the potential if taken orally. Therefore, the C. sinensis L. has potential as an anti-autism.

Tahun : 2021 Media Publikasi : Prosiding

Kategori : Prosiding No/Vol/Tahun : 020072 / 2237 / 2020

ISSN/ISBN : doi : ; https://doi.org/10.1063/5.0008500

PTN/S : University of Kitakyushu Program Studi : PENDIDIKAN ILMU PENGETAHUAN ALAM

Bibliography :
1. P. Curatolo, Y. Ben-Ari, Y. Bozzi, M.V. Catania, E. D'Angelo, L. Mapelli, L.M. Oberman, C. Rosenmund and E. Cherubini, Front. Cell. Neurosci. 8(309), 1-4 (2014). 2. M. Lisik, Psychiatr. Pol. 48(4), 689-700 (2014). 3. K. M. Heil and C.P. Schaaf, Curr. Psychiatry Rep. 15(1), 334 (2013). 4. Health Grove. Autistic Spectrum Disorder in Indonesia. (http://global-diseaseburden.healthgrove.com/l/63610/Autistic-Spectrum-Disorders-in-Indonesia), (Accessed in January 2018) (2016) 5. D.J. Guerra, Journal of Autism Research and Treatment 2011(398636), 1-16 (2011). 6. R. Dufault, R. Schnoll, W. J. Lukiw, B. Leblanc, C. Cornett, L. Patrick, D. Wallinga, S. G. Gilbert and R. Crider, Behav. Brain Funct. 5(44), 1-15 (2009). 7. N. Sakulsak, Int. J. Morphol 30(3), 1007-1012 (2012). 8. Strunecka, and H. Kruzikova, Cellular and Molecular Biology of Autism Spectrum Disorders, (Bentham E-Book, USA, 2003). 9. T. Kakuda, Biol. Pharm Bull 25(12), 1513-1518 (2002). 10. WebMD. Medicine for Autism. (https://www.webmd.com/brain/autism/medications-for-autism). (Accessed in January 2018) (2015). 11. Food and Drug Administration. FDA approves the first drug to treat irritability associated with autism, Risperdal, (http://www.fda.gov/NewsEvents/Newsroom/PressAnnouncements/ 2006/ucm108759.htm). (Accessed in January 2018) (2006). 12. Rezapour, M. Bahmani, O. Afsordeh, R. Rafieian and A.Sheikhian, J. HerbMed Pharmacol. 5(3), 89-91 (2016). 13. Thorne. L-Theanine. Altern Med Rev 10(2), 136-138 (2005). 14. S. P. Kelly, G. Ramirez, J. L. Montesi and J.J. Foxe, Nutr. J. 138(8), 1572-1577 (2008). 15. G. N. Owen, H. Parnell, E. A. Brin and J. Rycroft, Nutr. Neurosci 11(4), 193- 197 (2008). 16. T. Giesbrecht, J. A. Rycroft, M. J. Rowson and E. A. De Bruin, Nutr. Neurosci 13(6), 283-289 (2010). 17. K. Kimura, M. Ozeki, L. R. Juneja and H. Ohira, Biol. Psychol. 74(2007): 39-45 (2006). 18. Yoto, M. Motoki and H. Yokogashi, Journal of Anthropology 31(28), 1-9 (2012). 19. L. Yin, R. Zheng, T. S. Chen and T. Lu, BMC. Complem. Altern. M. 15(41), 1-17 (2011). 20. K. T. Schomburg and M. Rarey, Future Med. Chem. 6(18), 1987-1989 (2014). 21. C. Bortolotto, P. Delany, V. Smolder, M.B. Hos, O. Fantakes, L.B. Omstein and Collingride, Letter to Nature 402(1), 291-301 (1999). 22. D. Maulina, M. Amin, S.R. Lestari and M. Aziz, JBiopest 11(2): 89-97 (2018a). 23. D. Maulina, M. Amin, S.R. Lestari and M. Aziz, J. Biol. Res. 23, 2 (2018b). 24. M. Amin, K.S. Putra, I. F. Amin, N. Earlia, D. Maulina, B. Lukiati and U. Lestari, Biology, Medicine, & Natural Product Chemistry 7(1), 27-31 (2018). 25. Pangastuti, I. F. Amin, A. Zhilalikbar and M. Amin, Jurnal Teknologi (Sciences & Engineering) 78(5), 315-318 (2016). 26. Kim, S., Thiessen, P. A., Bolto and E. E. Chen, J. Nucleic Acid Res. 44(1), 202-213 (2015). 27. Wu, C. H., Apweiler, R., Bairoch, A., Natale, D. A., Barker and W. Boeckman, Nucleic Acids Res. 43(1): 187- 191 (2006). 28. H. M. Berman, K. Henrick and Nakamura, Nat. Struct. Biol. 10(12), 980 (2003). 29. D.S. Wishart, Y.D. Feunang, A. Marcu, A.C. Guo, K. Liang, R. Vázquez-Fresno, T. Sajed, D. Johnson, C. Li, N. Karu and Z. Sayeeda, Nucleic acids res. 46(1), 608-617 (2017). 30. Lipinski, Drug Discov. Today Technol. 1(4), 337-341 (2004). 31. S. K. Bhal, Lipophilicity Descriptors: Understanding When to Use LogP & LogD. Application Note. (Advanced Chemistry Development, Inc. Toronto, Canada, 2007), 27. 32. D.F. Veber, S.R. Johnson, H.Y. Cheng, B.R. Smith, K.W. Ward and K.D. Kopple, J. Med. Chem. 45(1), 2615– 2623 (2002).

URL : https://aip.scitation.org/doi/10.1063/5.0008500

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Detail Karya Ilmiah Dosen

Mohamad Amin, Nanda Hilda Khikmawati, Suryadi, Ihya Fakhrurizal Amin, Kodama Yayoi, Atmanto Heru Wibowo, Dina Maulina, Indriyani Rachman

Judul	:	Chemical interaction analysis of L-Theanine compounds from Camellia sinensis L. with kainate glutamate receptors and their toxicity effect as anti autism candidates based on in silico
Abstrak	:	Autism is a neuropsychiatric disease, one of the causes of autism is damage to neurons. L-Theanine is a bioactive compound in Camellia sinensis L.which is analogous to L-Glutamate Acid structure and its neuroprotective effect. This study aimed to analyze the binding side of L-Theanine and L-Glutamate Acid to the kainate of glutamate receptor protein to determine and the effectiveness of its inhibitor function. Toxicity analysis is also used to determine the suitability of compounds as bioactive components to be consumed orally. The method used to analyze the interaction of compounds with target proteins is reverse docking. Toxicity analysis using the Toxtree 2.6.13 and collection of information from the Human Metabolome Database. The docking shows that L-Glutamate Acid and L-Theanine have the same site in the ionotropic Glutamate receptor protein, kainate1. The residual groups of the two compounds when binding to the similar glutamate receptor protein are THR (A: 91), GLU (A: 191), and ARG (A: 96). The binding affinity of the two compounds is almost the same, namely -5.0 kcal/mol for L-Glutamate Acid and -4.9 kcal/mol for L-Theanine. This allows L-Theanine to act as an inhibitor that blocks L-Glutamate Acid from binding to glutamate receptors on prostsynap membranes. The compound docking results show that L-Theanine has four bond side residues that are the same as the same L-Glutamate Acid and binding affinity of -5.0 kcal/mol. Analysis with the principle of RO5 Lipinski is known that L-Theanine compounds have the potential if taken orally. Therefore, the C. sinensis L. has potential as an anti-autism.
Tahun	:	2021	Media Publikasi	:	Prosiding
Kategori	:	Prosiding	No/Vol/Tahun	:	020072 / 2237 / 2020
ISSN/ISBN	:	doi : ; https://doi.org/10.1063/5.0008500
PTN/S	:	University of Kitakyushu	Program Studi	:	PENDIDIKAN ILMU PENGETAHUAN ALAM
Bibliography	:	1. P. Curatolo, Y. Ben-Ari, Y. Bozzi, M.V. Catania, E. D'Angelo, L. Mapelli, L.M. Oberman, C. Rosenmund and E. Cherubini, Front. Cell. Neurosci. 8(309), 1-4 (2014). 2. M. Lisik, Psychiatr. Pol. 48(4), 689-700 (2014). 3. K. M. Heil and C.P. Schaaf, Curr. Psychiatry Rep. 15(1), 334 (2013). 4. Health Grove. Autistic Spectrum Disorder in Indonesia. (http://global-diseaseburden.healthgrove.com/l/63610/Autistic-Spectrum-Disorders-in-Indonesia), (Accessed in January 2018) (2016) 5. D.J. Guerra, Journal of Autism Research and Treatment 2011(398636), 1-16 (2011). 6. R. Dufault, R. Schnoll, W. J. Lukiw, B. Leblanc, C. Cornett, L. Patrick, D. Wallinga, S. G. Gilbert and R. Crider, Behav. Brain Funct. 5(44), 1-15 (2009). 7. N. Sakulsak, Int. J. Morphol 30(3), 1007-1012 (2012). 8. Strunecka, and H. Kruzikova, Cellular and Molecular Biology of Autism Spectrum Disorders, (Bentham E-Book, USA, 2003). 9. T. Kakuda, Biol. Pharm Bull 25(12), 1513-1518 (2002). 10. WebMD. Medicine for Autism. (https://www.webmd.com/brain/autism/medications-for-autism). (Accessed in January 2018) (2015). 11. Food and Drug Administration. FDA approves the first drug to treat irritability associated with autism, Risperdal, (http://www.fda.gov/NewsEvents/Newsroom/PressAnnouncements/ 2006/ucm108759.htm). (Accessed in January 2018) (2006). 12. Rezapour, M. Bahmani, O. Afsordeh, R. Rafieian and A.Sheikhian, J. HerbMed Pharmacol. 5(3), 89-91 (2016). 13. Thorne. L-Theanine. Altern Med Rev 10(2), 136-138 (2005). 14. S. P. Kelly, G. Ramirez, J. L. Montesi and J.J. Foxe, Nutr. J. 138(8), 1572-1577 (2008). 15. G. N. Owen, H. Parnell, E. A. Brin and J. Rycroft, Nutr. Neurosci 11(4), 193- 197 (2008). 16. T. Giesbrecht, J. A. Rycroft, M. J. Rowson and E. A. De Bruin, Nutr. Neurosci 13(6), 283-289 (2010). 17. K. Kimura, M. Ozeki, L. R. Juneja and H. Ohira, Biol. Psychol. 74(2007): 39-45 (2006). 18. Yoto, M. Motoki and H. Yokogashi, Journal of Anthropology 31(28), 1-9 (2012). 19. L. Yin, R. Zheng, T. S. Chen and T. Lu, BMC. Complem. Altern. M. 15(41), 1-17 (2011). 20. K. T. Schomburg and M. Rarey, Future Med. Chem. 6(18), 1987-1989 (2014). 21. C. Bortolotto, P. Delany, V. Smolder, M.B. Hos, O. Fantakes, L.B. Omstein and Collingride, Letter to Nature 402(1), 291-301 (1999). 22. D. Maulina, M. Amin, S.R. Lestari and M. Aziz, JBiopest 11(2): 89-97 (2018a). 23. D. Maulina, M. Amin, S.R. Lestari and M. Aziz, J. Biol. Res. 23, 2 (2018b). 24. M. Amin, K.S. Putra, I. F. Amin, N. Earlia, D. Maulina, B. Lukiati and U. Lestari, Biology, Medicine, & Natural Product Chemistry 7(1), 27-31 (2018). 25. Pangastuti, I. F. Amin, A. Zhilalikbar and M. Amin, Jurnal Teknologi (Sciences & Engineering) 78(5), 315-318 (2016). 26. Kim, S., Thiessen, P. A., Bolto and E. E. Chen, J. Nucleic Acid Res. 44(1), 202-213 (2015). 27. Wu, C. H., Apweiler, R., Bairoch, A., Natale, D. A., Barker and W. Boeckman, Nucleic Acids Res. 43(1): 187- 191 (2006). 28. H. M. Berman, K. Henrick and Nakamura, Nat. Struct. Biol. 10(12), 980 (2003). 29. D.S. Wishart, Y.D. Feunang, A. Marcu, A.C. Guo, K. Liang, R. Vázquez-Fresno, T. Sajed, D. Johnson, C. Li, N. Karu and Z. Sayeeda, Nucleic acids res. 46(1), 608-617 (2017). 30. Lipinski, Drug Discov. Today Technol. 1(4), 337-341 (2004). 31. S. K. Bhal, Lipophilicity Descriptors: Understanding When to Use LogP & LogD. Application Note. (Advanced Chemistry Development, Inc. Toronto, Canada, 2007), 27. 32. D.F. Veber, S.R. Johnson, H.Y. Cheng, B.R. Smith, K.W. Ward and K.D. Kopple, J. Med. Chem. 45(1), 2615– 2623 (2002).
URL	:	https://aip.scitation.org/doi/10.1063/5.0008500