Melaleuca leucadendra Pharmacological Network for Identifying Potential Target of Alcohol Dependence
Abstract
Melaleuca leucadendra (ML) contains a compound that is potentially a candidate for alcohol dependence. Alcohol dependence is defined by desire, tolerance, anxiety with alcohol, and continuing to drink even though the consequences are dangerous. The study aims to analyze the potential of the ML compound content for alcohol dependence therapy within silico-based pharmacological chain analysis. ML compound data is obtained from the Knapsack database, screening of absorption, distribution, metabolism, and excretion (ADME) of the compounds ML with SwissADME, prediction of the protein of the target compounder ML with the Swiss TargetpPrediction, Gene cards, venny, analysis of the pharmacological network with String-DB and its visualization with Cytoscape version 3.10.0. The pathways correlated with therapy are dopamine receptors, dopamine carriers, serotonin, gamma-aminobutyric acid receptors, and toll-like receptors for known therapeutic target proteins: OPRM1, DRD2, ALDH2, ADH1B, ADH1A, ADH1C, ADH4, SLC6A3, CNR1, POMC, ARRB2, and NCS1. Alcohol-dependent therapies include alpha-Campholenal, Benzaldehyde, trans-Pinocarveol, Borneol, linalool, alfa-Terpineol, (-)-alpha-Bisabolol oxide B, alphaterpine acetate, and Caryophylla-4(148),15-dien-5alphaol.
References
Agahi, F. et al. (2020). In silico methods for metabolomic and toxicity prediction of zearalenone, α -zearalenone and β -zearalenone’, (January). doi: 10.1016/j.ajem.2020.04.052
Bandura, J. and Feng, Z. (2019) ‘Current Understanding of the Role of Neuronal Calcium Sensor 1 in Neurological Disorders’. P. 30719643 DOI: 10.1007/s12035-019-1497-2
Campus, N. (2014) ‘Population-Based Case-Control Study of DRD2 Gene Polymorphisms and Alcoholism Population-Based Case-Control Study of DRD2 Gene Polymorphisms and Alcoholism’, (November 2014), pp. 37–41. doi: 10.1080/10550887.2010.509274.
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, (March), 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.
D. Ria Suryani, Wahyu Anggo Rizal, Diah Pratiwi (2020) ‘BIOMASSA KAYU PUTIH ( MELALEUCA LEUCADENDRA ) DAN KAYU JATI ( TECTONA GRANDIS ) Characteristics and Antibacterial Activity of Liquid Smoke From White Wood ( Melaleuca leucadendra ) and Teak Wood ( Tectona grandis ) Biomass’, (Vol. 21 No. 2 (2020)). DOI: https://doi.org/10.21776/ub.jtp.2020.021.02.4
Dembitsky, V. M. (2021) ‘In Silico Prediction of Steroids and Triterpenoids as Potential Regulators of Lipid Metabolism’. DOI: 10.3390/md19110650
Dona, R. et al. (2019) ‘Studi In Silico , Sintesis , dan Uji Sitotoksik Senyawa P-Metoksi Kalkon Terhadap Sel Kanker Payudara MCF-7’, (Vol 6, No 3 (2019) pp. 243–249). DOI : 10.25077/jsfk.6.3.243-249.2019
Grabowski, P. and Rappsilber, J. (2019) ‘A Primer on Data Analytics in Functional Genomics : How to Move from Data to Insight ?’, Trends in Biochemical Sciences, 44(1), pp. 21–32. doi: 10.1016/j.tibs.2018.10.010.
Heath, K. (2021) ‘Na+ /K+ -ATPase-Targeted Cytotoxicity of (+)-Digoxin and Several Semi-synthetic HHS Public Access,’ 83(3), pp. 638–648. doi: 10.1021/acs.jnatprod.9b01060.Na.
Hillemacher, T. and Frieling, H. (2019) ‘Pharmacotherapeutic options for co-morbid depression and alcohol dependence’, Expert Opinion on Pharmacotherapy, 00(00), pp. 1–23. doi: 10.1080/14656566.2018.1561870.
Indarwati, D. F., Ratnawati, D. E. and Anam, S. (2019) ‘Klasifikasi Fungsi Senyawa Aktif berdasarkan Data Simplified Molecular Input Line Entry System ( SMILES ) menggunakan Metode Support Vector Machine ( SVM )’, 3(8), pp. 7844–7850. Vol. 3, No. 8, Agustus 2019, hlm. 7844-7850
Influencing, U. F. and Metabolism, A. (2014) ‘Biology , Genetics , and Environment Underlying Factors Influencing Alcohol Metabolism Tamara’, pp. 59–68. PMID: 27163368
Irfan, N. et al. (2022) ‘Analisis Profil Minyak Atsiri Daun Kayu Putih ( Melaleuca leucadendra L .) dan Produk di Pasaran’, 10(3), pp. 754–762. DOI: https://doi.org/10.22146/jfps.5785
Jin, S. et al. (2021). ‘Brain ethanol metabolism by astrocytic ALDH2 drives the behavioural effects of ethanol intoxication’, 3(3), pp. 337–351. doi: 10.1038/s42255-021-00357-z.Brain.
Jung, J. H. et al. (2019). ‘Seminars in Cancer Biology Phyotochemical candidates repurposing for cancer therapy and their molecular mechanisms’, Seminars in Cancer Biology, (November), pp. 0–1. doi: 10.1016/j.semcancer.2019.12.009.
Kanehisa, M. et al. (2023) ‘KEGG for taxonomy-based analysis of pathways and genomes’, 51(October 2022), pp. 587–592. https://doi.org/10.1093/nar/gkac963
Lin, G. et al. (2016) ‘VennPainter : A Tool for the Comparison and Identification of Candidate Genes Based on Venn Diagrams’, pp. 5–8. doi: 10.1371/journal.pone.0154315.
Lyoo, C. H. et al. (2014) ‘Reduced Cannabinoid CB1 Receptor Binding in Alcohol Dependence Measured with Positron Emission Tomography’, 18(8), pp. 916–921. doi: 10.1038/mp.2012.100.Reduced.
Maula, L. K. and Yuniastuti, A. (2017) ‘Analisis Faktor Yang Mempengaruhi Penyalahgunaan dan Adiksi Alkohol pada Remaja di Kabupaten Pati Abstrak’, (Vol 2, No 2 (2017), pp. 168–174).
Meisarani, A. and Ramadhania, Z. M. (2016) ‘KANDUNGAN SENYAWA KIMIA DAN BIOAKTIVITAS Melaleuca leucadendra.’, (Vol 14, No 2 (2016), pp. 123–144). DOI : https://doi.org/10.24198/jf.v14i2.10818
Peng, G. et al. (2014) ‘ALDH2 * 2 but not ADH1B * 2 is a causative variant gene allele for Asian alcohol flushing after a low-dose challenge : correlation of the pharmacokinetic and pharmacodynamic findings’, pp. 607–617. doi: 10.1097/FPC.0000000000000096.
Rodr, F. D., Lisardo, M. and Coveñas, R. (2023) ‘Neurotensin and Alcohol Use Disorders : Towards a Pharmacological Treatment’ DOI: 10.3390/ijms24108656.
Rosnelly, R. and Utama, U. P. (2021) ‘Pengembangan Aplikasi Media Pembelajaran Tanaman Herbal Berbasis Android’ (Vol.9 ,No.2 (2021)) DOI:http://dx.doi.org/10.22303/it.9.2.2021.130-141.
Rudik, A. et al. (2018) ‘MetaTox - Web Application for Generation of Metabolic Pathways and Toxicity Estimation’. doi: 10.1142/S0219720019400018.
Stelzer, G. et al. (2016) ‘The GeneCards Suite : From Gene Data Mining to Disease Genome Sequence Analyses’, (June), pp. 1–33. doi: 10.1002/cpbi.5.
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. doi: 10.1093/nar/gkaa1074.
Tritama, T. K., Kedokteran, F. and Lampung, U. (2015) ‘Konsumsi Alkohol dan Pengaruhnya terhadap Kesehatan’, (Vol 4, No 8, pp. 7–10).
Weiland, B. J., Yorkwilliams, S. and Hutchison, K. E. (2020) ‘DRD2 Promoter Methylation and Measures of Alcohol Reward: Functional Activation of Reward Circuits and Clinical Severity’, 24(3), pp. 539–548. doi: 10.1111/adb.12614.DRD2.
Xu, M. et al. (2017) ‘Genetic influences of dopamine transport gene on alcohol dependence: A pooled analysis of 13 studies with 2483 cases and 1753 controls’. doi: 10.1016/j.pnpbp.2010.11.001.Genetic.
Zhang, H. et al. (2023) ‘Targeting electroencephalography for alcohol dependence : A narrative review’, (January), pp. 1205–1212. doi: 10.1111/cns.14138.
Zhang, J. et al. (2018) ‘The antifungal activity of essential oil from Melaleuca leucadendra ( L) DOI: 10.1080/14786419.2018.1448979
Bandura, J. and Feng, Z. (2019) ‘Current Understanding of the Role of Neuronal Calcium Sensor 1 in Neurological Disorders’. P. 30719643 DOI: 10.1007/s12035-019-1497-2
Campus, N. (2014) ‘Population-Based Case-Control Study of DRD2 Gene Polymorphisms and Alcoholism Population-Based Case-Control Study of DRD2 Gene Polymorphisms and Alcoholism’, (November 2014), pp. 37–41. doi: 10.1080/10550887.2010.509274.
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, (March), 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.
D. Ria Suryani, Wahyu Anggo Rizal, Diah Pratiwi (2020) ‘BIOMASSA KAYU PUTIH ( MELALEUCA LEUCADENDRA ) DAN KAYU JATI ( TECTONA GRANDIS ) Characteristics and Antibacterial Activity of Liquid Smoke From White Wood ( Melaleuca leucadendra ) and Teak Wood ( Tectona grandis ) Biomass’, (Vol. 21 No. 2 (2020)). DOI: https://doi.org/10.21776/ub.jtp.2020.021.02.4
Dembitsky, V. M. (2021) ‘In Silico Prediction of Steroids and Triterpenoids as Potential Regulators of Lipid Metabolism’. DOI: 10.3390/md19110650
Dona, R. et al. (2019) ‘Studi In Silico , Sintesis , dan Uji Sitotoksik Senyawa P-Metoksi Kalkon Terhadap Sel Kanker Payudara MCF-7’, (Vol 6, No 3 (2019) pp. 243–249). DOI : 10.25077/jsfk.6.3.243-249.2019
Grabowski, P. and Rappsilber, J. (2019) ‘A Primer on Data Analytics in Functional Genomics : How to Move from Data to Insight ?’, Trends in Biochemical Sciences, 44(1), pp. 21–32. doi: 10.1016/j.tibs.2018.10.010.
Heath, K. (2021) ‘Na+ /K+ -ATPase-Targeted Cytotoxicity of (+)-Digoxin and Several Semi-synthetic HHS Public Access,’ 83(3), pp. 638–648. doi: 10.1021/acs.jnatprod.9b01060.Na.
Hillemacher, T. and Frieling, H. (2019) ‘Pharmacotherapeutic options for co-morbid depression and alcohol dependence’, Expert Opinion on Pharmacotherapy, 00(00), pp. 1–23. doi: 10.1080/14656566.2018.1561870.
Indarwati, D. F., Ratnawati, D. E. and Anam, S. (2019) ‘Klasifikasi Fungsi Senyawa Aktif berdasarkan Data Simplified Molecular Input Line Entry System ( SMILES ) menggunakan Metode Support Vector Machine ( SVM )’, 3(8), pp. 7844–7850. Vol. 3, No. 8, Agustus 2019, hlm. 7844-7850
Influencing, U. F. and Metabolism, A. (2014) ‘Biology , Genetics , and Environment Underlying Factors Influencing Alcohol Metabolism Tamara’, pp. 59–68. PMID: 27163368
Irfan, N. et al. (2022) ‘Analisis Profil Minyak Atsiri Daun Kayu Putih ( Melaleuca leucadendra L .) dan Produk di Pasaran’, 10(3), pp. 754–762. DOI: https://doi.org/10.22146/jfps.5785
Jin, S. et al. (2021). ‘Brain ethanol metabolism by astrocytic ALDH2 drives the behavioural effects of ethanol intoxication’, 3(3), pp. 337–351. doi: 10.1038/s42255-021-00357-z.Brain.
Jung, J. H. et al. (2019). ‘Seminars in Cancer Biology Phyotochemical candidates repurposing for cancer therapy and their molecular mechanisms’, Seminars in Cancer Biology, (November), pp. 0–1. doi: 10.1016/j.semcancer.2019.12.009.
Kanehisa, M. et al. (2023) ‘KEGG for taxonomy-based analysis of pathways and genomes’, 51(October 2022), pp. 587–592. https://doi.org/10.1093/nar/gkac963
Lin, G. et al. (2016) ‘VennPainter : A Tool for the Comparison and Identification of Candidate Genes Based on Venn Diagrams’, pp. 5–8. doi: 10.1371/journal.pone.0154315.
Lyoo, C. H. et al. (2014) ‘Reduced Cannabinoid CB1 Receptor Binding in Alcohol Dependence Measured with Positron Emission Tomography’, 18(8), pp. 916–921. doi: 10.1038/mp.2012.100.Reduced.
Maula, L. K. and Yuniastuti, A. (2017) ‘Analisis Faktor Yang Mempengaruhi Penyalahgunaan dan Adiksi Alkohol pada Remaja di Kabupaten Pati Abstrak’, (Vol 2, No 2 (2017), pp. 168–174).
Meisarani, A. and Ramadhania, Z. M. (2016) ‘KANDUNGAN SENYAWA KIMIA DAN BIOAKTIVITAS Melaleuca leucadendra.’, (Vol 14, No 2 (2016), pp. 123–144). DOI : https://doi.org/10.24198/jf.v14i2.10818
Peng, G. et al. (2014) ‘ALDH2 * 2 but not ADH1B * 2 is a causative variant gene allele for Asian alcohol flushing after a low-dose challenge : correlation of the pharmacokinetic and pharmacodynamic findings’, pp. 607–617. doi: 10.1097/FPC.0000000000000096.
Rodr, F. D., Lisardo, M. and Coveñas, R. (2023) ‘Neurotensin and Alcohol Use Disorders : Towards a Pharmacological Treatment’ DOI: 10.3390/ijms24108656.
Rosnelly, R. and Utama, U. P. (2021) ‘Pengembangan Aplikasi Media Pembelajaran Tanaman Herbal Berbasis Android’ (Vol.9 ,No.2 (2021)) DOI:http://dx.doi.org/10.22303/it.9.2.2021.130-141.
Rudik, A. et al. (2018) ‘MetaTox - Web Application for Generation of Metabolic Pathways and Toxicity Estimation’. doi: 10.1142/S0219720019400018.
Stelzer, G. et al. (2016) ‘The GeneCards Suite : From Gene Data Mining to Disease Genome Sequence Analyses’, (June), pp. 1–33. doi: 10.1002/cpbi.5.
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. doi: 10.1093/nar/gkaa1074.
Tritama, T. K., Kedokteran, F. and Lampung, U. (2015) ‘Konsumsi Alkohol dan Pengaruhnya terhadap Kesehatan’, (Vol 4, No 8, pp. 7–10).
Weiland, B. J., Yorkwilliams, S. and Hutchison, K. E. (2020) ‘DRD2 Promoter Methylation and Measures of Alcohol Reward: Functional Activation of Reward Circuits and Clinical Severity’, 24(3), pp. 539–548. doi: 10.1111/adb.12614.DRD2.
Xu, M. et al. (2017) ‘Genetic influences of dopamine transport gene on alcohol dependence: A pooled analysis of 13 studies with 2483 cases and 1753 controls’. doi: 10.1016/j.pnpbp.2010.11.001.Genetic.
Zhang, H. et al. (2023) ‘Targeting electroencephalography for alcohol dependence : A narrative review’, (January), pp. 1205–1212. doi: 10.1111/cns.14138.
Zhang, J. et al. (2018) ‘The antifungal activity of essential oil from Melaleuca leucadendra ( L) DOI: 10.1080/14786419.2018.1448979
Published
2023-11-13
How to Cite
SETIAWAN, Risma Ayu et al.
Melaleuca leucadendra Pharmacological Network for Identifying Potential Target of Alcohol Dependence.
Proceedings of International Pharmacy Ulul Albab Conference and Seminar (PLANAR), [S.l.], v. 3, p. 111-125, nov. 2023.
ISSN 2827-7848.
Available at: <http://conferences.uin-malang.ac.id/index.php/planar/article/view/2477>. Date accessed: 04 may 2024.
doi: https://doi.org/10.18860/planar.v3i0.2477.
Issue
Section
Articles
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
