Discovery New Drug Cycela barbata in Alcohol Use Disorder Using Pharmacological Methods

Nuvandaru Fajar Dzikra Febriyandi; Ahmad Shobrun Jamil; M Artabah Muchlisin

doi:10.18860/planar.v3i0.2485

Nuvandaru Fajar Dzikra Febriyandi Universitas Muhammadiyah Malang
Ahmad Shobrun Jamil Universitas Muhammadiyah Malang http://orcid.org/0000-0001-9903-0055
M Artabah Muchlisin Universitas Muhammadiyah Malang http://orcid.org/0000-0002-0257-4089

DOI: https://doi.org/10.18860/planar.v3i0.2485

Abstract

Alcohol use disorder (AUD) is a medical condition characterized by an impaired ability to stop or control alcohol use including conditions that some refer to as alcohol abuse, alcohol dependence, alcohol addiction, and the colloquial term, alcoholism. The aim of this research is to find the potential of grass jelly (Cyclea barbata) for treating alcohol. The method used is in silico pharmacological network analysis. Secondary metabolite compound data was obtained from the Knapsack database, prediction of the ability to penetrate the blood brain barrier using the Boiled-Egg method in SwissADME. Prediction of proteins related to C. barbata used SwisstTargetPrediction. Pharmacological network analysis using StringDB and Disease Gene methods. The screening results from KnapSack showed 18 compounds, and only three compounds, namely beta-Cyclanoline, (-)-N-Methylcoclaurine, and (+)-Coclaurine, were predicted to be able to penetrate the blood-brain barrier using Boiled-EGG. From SwissTargetPrediction, 125 proteins related to C. barbata were obtained. From pharmacological network analysis, it was found that 6 proteins were related to alcohol use disorder, namely DRD3, HTR2A, SLC6A3, DRD2, OPRM1, and SLC6A4. So it can be concluded that C. barbata has potential as a plant that can be used to treat AUD.

References

Afendi, F. M. et al. (2012) ‘KNApSAcK Family Databases : Integrated Metabolite – Plant Species Databases for Multifaceted Plant Research Special Issue – Databases’, 53(2), pp. 1–12. doi: 10.1093/pcp/pcr165.
Barroso-chinea, P. et al. (2020) ‘DRD3 ( dopamine receptor D3 ) but not DRD2 activates autophagy through MTORC1 inhibition preserving protein synthesis’, Autophagy, 16(7), pp. 1279–1295. doi: 10.1080/15548627.2019.1668606.
Carvalho, A. F. et al. (2019) ‘Seminar Alcohol use disorders’, The Lancet, 394(10200), pp. 781–792. doi: 10.1016/S0140-6736(19)31775-1.
Chidambaran, V. et al. (2022) ‘and chronic postsurgical pain after spine fusion DNA methylation at the mu-1 opioid receptor gene ( OPRM1 ) promoter predicts preoperative , acute , and chronic postsurgical pain after spine fusion’. doi: 10.2147/PGPM.S132691.
Connor, J. P., Haber, P. S. and Hall, W. D. (2016) ‘Alcohol use disorders’, The Lancet, 387(10022), pp. 988–998. doi: 10.1016/S0140-6736(15)00122-1.
Daina, A., Michielin, O. and Zoete, V. (2017) ‘SwissADME : a free web tool to evaluate pharmacokinetics , drug- likeness and medicinal chemistry friendliness of small molecules’, Nature Publishing Group, (January), pp. 1–13. doi: 10.1038/srep42717.
Daina, A., Michielin, O. and Zoete, V. (2019) ‘SwissTargetPrediction : updated data and new features for efficient prediction of protein targets of small molecules’, 47(May), pp. 357–364. doi: 10.1093/nar/gkz382.
Daina, A. and Zoete, V. (2016) ‘A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules’, pp. 1117–1121. doi: 10.1002/cmdc.201600182.
Gelernter, J. (2015) ‘SLC6A4 Polymorphism, Population Genetics, and Psychiatric Traits’, Human Genetics, 61(6), pp. 515–525. doi: 10.1007/s00439-013-1412-2.SLC6A4.
Henry R. Kranzler, MD; Michael Soyka, M. (2018) ‘Diagnosis and Pharmacotherapy of Alcohol Use Disorder A Review’, 320(8), pp. 815–824. doi: 10.1001/jama.2018.11406.
Kao, C. et al. (2020) ‘Gene-Based Association Analysis Suggests Association of HTR2A With Antidepressant Treatment Response in Depressed Patients’, 11(December), pp. 1–9. doi: 10.3389/fphar.2020.559601.
Labibah L, R. T. (2022) ‘Artikel: Hubungan Jenis Kelamin terhadap Eksipien Farmasi dalam Mempengaruhi Bioavailabilitas Obat’, 7(3), pp. 176–188.
Malamut, S. T. (2021) ‘Bidirectional Associations between Popularity , Popularity Goal , and Aggression , Alcohol Use and Prosocial Behaviors in Adolescence : A 3-Year Prospective Longitudinal Study’, Journal of Youth and Adolescence, pp. 298–313. doi: 10.1007/s10964-020-01308-9.
Mchugh, R. K. and Weiss, R. D. (no date) ‘Alcohol Use Disorder and Depressive Disorders’, pp. 1–8.
Rizk, M. M. (2021) ‘Suicide Risk and Addiction : The Impact of Alcohol and Opioid Use Disorders’, pp. 194–207.
Szklarczyk, D. et al. (2021) ‘The STRING database in 2021 : customizable protein – protein networks , and functional characterization of user-uploaded gene / measurement sets’, 49(November 2020), pp. 605–612