Stability of Serotonin Transporter Essential Amino Acid Complex with Curcumin and Demethoxycurcumin Compounds as Antidepressant Candidates Based on In Silico Test
Stabilitas Kompleks Asam Amino Esensial Pengangkut Serotonin dengan Senyawa Curcumin dan Demethoxycurcumin sebagai Kandidat Antidepresan Berdasarkan Uji In Silico
DOI:
https://doi.org/10.53342/pharmasci.v9i1.426Keywords:
curcumin, demetoxycurcumin, SER438, AntidepresanAbstract
A Depression is a mental problem that is common in all communities, including teenagers. It is estimated that 10- 20% of teenagers in the world experience mental health problems. Turmeric at a dose of 560mg/KgBW was shown to be effective as an antidepressant in Wistar rats (rattus norvegicus). Computers offer in silico test methods as a complement to in vitro and in vivo methods which are commonly used in the process of discovering and developing the biological activity of chemical compounds or natural materials as drug candidates. The research results show that MD simulations on the serotonin transporter complex protein with the ligand Demethoxycurcumin are more stable than curcumin and fluvoxamine. The results of identifying the molecular dynamics determinant of binding with the native ligand are amino acid SER336 and the reference ligand is amino acid SER438.
References
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1. Sulistyorini, W., & Sabarisman, M. (2017). Depresi: Suatu tinjauan psikologis.Jurnal Sosio Informa 3(2).
2. World Health Organization. (2005). Nutrition in Adolescence-Issues and Challenges for Health Sector: Issues in Adolescent Health and Development. Geneva: World Health Organization.
3. Faryadian S, Sydmohammadi A, Khosravi A, Kashiri M, Faryadayn P, Abasi N. (2014). Aqueous Extract of Echium Amoneum Elevate CSF Serotonin and Dopamin Level in Depression Rate. Biomedical & Pharmacolology Journal 7 (1), 137-142.
4. Yu, C., Garcia-Olivares, J., Candler, S., Schwabe, S., & Maletic, V. (2020). New insights into the mechanism of action of viloxazine: serotonin and norepinephrine modulating properties. Journal of Experimental Pharmacology, 12, 285.
5. Kulkarni, R. R., & Kulkarni, P. R. (2013). Linezolid-induced near-fatal serotonin syndrome during escitalopram therapy: case report and review of literature. Indian Journal of Psychological Medicine, 35(4), 413-416.
6. Khanifah, F., Sari, E. P., & Susanto, A. (2021). Efektivitas kombinasi ekstrak etanol kunyit (Curcuma longa linn.) dan coklat (Theobroma cacao) sebagai kandidat antidepresan pada tikus putih (rattus norvegicus) galur wistar. Jurnal Wiyata: Penelitian Sains dan Kesehatan. 8(2), 103-110.
7. Scholey, A., & Owen, L. (2013). Effects of chocolate on cognitive function and mood: A systematic review. Nutrition Reviews 71(10), 665-681.
8. Herraiz, T. (2000). Tetrahydro-β-carbolines, potential neuroactive alkaloids, in chocolate and cocoa. Journal of agricultural and food chemistry, 48(10), 4900- 4904.
9. Istyastono, E. P. (2020). Rancangan Obat dan Penapisan Virtual Berbasis Struktur. Sanata Dharma University Press.
10. Jenwitheesuk, E. H. (2008). Novel Paradigms for Drug Discovery Computational multitarget screening. Trends in Pharmacological Sciences , 29,62-71.
11. Mahar, I., Bambico, F. R., Mechawar, N., & Nobrega, J. N. (2014). Stress, serotonin, and hippocampal neurogenesis in relation to depression and antidepressant effects. Neuroscience & Biobehavioral Reviews, 38, 173-192.
12. Grahame-Smith, D. G. (1967). The biosynthesis of 5-hydroxytryptamine in brain.Biochemical Journal, 105(1), 351-360.
13. Pradnyawati, Ni Putu W., Sucandra, I made K. (2017). Neurofisiologi. Bagian Anestesi Dan Terapi Intensif Rsup Sanglah Denpasar/ Fakultas Kedokteran Universitas Udayana.
14. Basak, S., Gicheru, Y., Kapoor, A., Mayer, M. L., Filizola, M., & Chakrapani, S. (2019). Molecular mechanism of setron-mediated inhibition of full-length 5- HT3A receptor. nature communications, 10(1), 1-11.
15. Susilawati, A., Ratep, N., & Putera, K. (2014). Depresi pasca-stroke: diagnosis dan tatalaksana. cermin dunia kedokteran, 41(12), 901-905.
16. Chan, H. N., Fam, J., & Ng, B. Y. (2009). Use of antidepressants in the treatment of chronic pain. Annals Academy of Medicine Singapore, 38(11), 974.
17. Adelina, R. (2013). Kajian tanaman obat Indonesia yang berpotensi sebagai antidepresan. Jurnal Kefarmasian Indonesia, 9-18.
18. Coleman, J. A., & Gouaux, E. (2018). Structural basis for recognition of diverse antidepressants by the human serotonin transporter. Nature structural & molecular biology, 25(2), 170-175.
19. Istyastono, E. P., Yuniarti, N., Prasasty, V. D., & Mungkasi, S. (2021). PyPLIF HIPPOS-Assisted Prediction of Molecular Determinants of Ligand Binding to Receptors. Molecules, 26(9), 2452.
20. Riandono, F. D., & Istyastono, E. P. (2022). Identifikasi Determinan Molekul Interaksi STK630921 pada Interleukin-17A. Jurnal Sains Farmasi & Klinis, 9(1), 57-63
21. Istyastono, E. P., (2012). Construction and optimization of structure-based virtual screening protocols to identify cyclooxygenase-1 inhibitors using open babel, spores and plants. Indones. J. Chem. Vol 12, No 2, doi:10.22146/ijc.21354
22. Istyastono, Enade perdana. Riswanto florentinus dika octa. (2022). Molecular dynamics simulations of the caffeic acid interactions to dipeptidyl peptidase iv. International journal of applied pharmaceutics vol 14, issue 4, 2022, 274-278
23. Nugraha, G. Istyastono, E.2021. Virtual Target Construction For Structure-Based Screening In The Discovery Of Histamine H2 Receptor Ligands. International Journal Applied Pharmateutics, Vol 13, Issue 3, 2021, 239-241
24. Nugraha, h. D. Pranowo, m. Mudasir, and e. P. Istyastono, “Virtual Target Construction For Discovery Of Human Histamine H4 Receptor Ligands Employing A Structure-Based Virtual Screening Approachâ€, int j app pharm, vol. 14, no. 4, pp. 213–218, jul. 2022
25. Istyastono, E. P., (2021). Secangkir Kopi dan Penemuan Obat Diabetes. Sanata Dharma University Press. Yogyakarta
26. Bulusu, G., & Desiraju, G. R. (2020). Strong and weak hydrogen bonds in protein– ligand recognition. Journal of the Indian Institute of Science, 100, 31-41
27. Escobar, L., & Ballester, P. (2021). Molecular recognition in water using macrocyclic synthetic receptors. Chemical Reviews, 121(4), 2445-2514
28. Lipinski, C. A., F. Lombardo, B. W. Dominy, dan P. J. Feeney. (2012).
29. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Advanced Drug Delivery Reviews. Vol. 64(1-3): 4-17
30. Chan, M. C., Selvam, B., Young, H. J., Procko, E., & Shukla, D. (2022). The Substrate Import Mechanism Of The Human Serotonin
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Stability of Serotonin Transporter Essential Amino Acid Complex with Curcumin and Demethoxycurcumin Compounds as Antidepressant Candidates Based on In Silico Test: Stabilitas Kompleks Asam Amino Esensial Pengangkut Serotonin dengan Senyawa Curcumin dan Demethoxycurcumin sebagai Kandidat Antidepresan Berdasarkan Uji In Silico. (2024). Journal Pharmasci (Journal of Pharmacy and Science), 9(1), 15-21. https://doi.org/10.53342/pharmasci.v9i1.426
