Effectiveness of Active Compounds of Herbal Plants as Aphrodisiacs Through Molecular Docking Against Human Phosphodiesterase-5 Receptors
DOI:
10.29303/jppipa.v9i4.3137Published:
2023-04-30Issue:
Vol. 9 No. 4 (2023): AprilKeywords:
Aphrodisiac herbs, Erectile dysfunction, Human phosphodiesterase 5, In silicoResearch Articles
Downloads
How to Cite
Downloads
Metrics
Abstract
Based on the evaluation of side effects the use of sildenafil as a human phosphodiesterase 5 inhibitor drug (HPDE5) has prompted the search for new compounds that have the potential to be aphrodisiacs. The purpose of this study was to determine the interaction of the active compounds nilocitin, stigmasterol, protodioscin, icariin, yohimbine, and ginsenoside against the HPDE5 receptor as an aphrodisiac. The method used in this study was experimental conducted in silico. The metabolite structure is downloaded from the PubChem application, the protein is downloaded from PDB (Protein Data Bank) with the code 2H42. The result of this study is that the active compound may interact with HPDE5 receptors. The interaction that occurs results in the formation of van der waals bonds, hydrogen, carbon hydrogen, sigma, sulfur cation anions, T-shape and alkyls. The active compounds each have a sildenafil bond energy of -9.5 kcal/mol; niloticin -7.8 kcal/mol; stigmasterol -10.7 kcal/mol; protodioscin -13.1 kcal/mol; icariin -11.1 kcal/mol; yohimbine -10.1 kcal/mol and ginsenoside -12.1 kcal/mol with RMSD 0. The interaction with the HPDE5 receptor results in the formation of the same amino acid residue as the comparison ligand. The residual equation shows that the compounds have the same activity and can be predicted as aphrodisiacs
References
Abdullah, N., Wibowo, E. S., & Fabanjo, M. A. (2021). Pengaruh Perendama larva Ikan Komet (Carasius auratus) dalam Larutan Ekstrak Purwoceng Terhadap Pertumbuhan dan Persentasi Individu Betina. Jurnal Ilmiah Agribisnis Dan Perikanan (Agrikan UMMU-Ternate), 14(2). Retrieved from https://jurnal.ummu.ac.id/index.php/agrikan/article/download/801/545
Adriani, A. (2018). Prediksisenyawa Bioaktif Dari Tanaman Sanrego (Lunasia Amara Blanco) Sebagai Inhibitor Enzim Siklooksigenase-2 (COX-2) Melalui Pendekatan Molecular Docking. Jurnal Ilmiah Pena: Sains Dan Ilmu Pendidikan, 10(1), 6–11. https://doi.org/10.51336/jip.v10i1.128
Alfathin, M. F., Herawati, D., & Faqih, T. M. (2021). Studi In Silico Senyawa Turunan Ftalosianin terhadap Reseptor InhA pada Mycobacterium tuberculosis sebagai Kandidat Senyawa Photosensitizer. Prosiding Farmasi, 284–291. https://doi.org/10.29313/.v0i0.29107
Atanda, H., Balogun, T. A., Alshehri, M. M., Olivos-Ramirez, G., Vilca-Quispe, J., Chenet-Zuta, M., Cárdenas-Cárdenas, R., Delgado Wong, H., Ropón-Palacios, G., & Umar, H. I. (2022). In silico study revealed the inhibitory activity of selected phytomolecules of C. rotundus against VacA implicated in gastric ulcer. Journal of Biomolecular Structure and Dynamics, 1–12. https://doi.org/10.1080/07391102.2022.2160814
Bare, Y., Helvina, M., Elizabeth, A., & Sari, D. R. T. (2019). Potensi Asam kafeat pada Kopi sebagai Simultan Gen Peroxixme proliferator-activated receptor gamma (PPAR-γ): Studi In silico. Jurnal Saintek Lahan Kering, 2(2), 52–53. https://doi.org/10.32938/slk.v2i2.866
Brunetti, P., Lo Faro, A. F., Tini, A., Busardò, F. P., & Carlier, J. (2020). Pharmacology of herbal sexual enhancers: A review of psychiatric and neurological adverse effects. Pharmaceuticals, 13(10), 309. https://doi.org/10.3390/ph13100309
Duan, J., Xu, P., Cheng, X., Mao, C., Croll, T., He, X., Shi, J., Luan, X., Yin, W., You, E., Liu, Q., Zhang, S., Jiang, H., & Zhang, Y. (2021). Structures of full-length glycoprotein hormone receptor signalling complexes. Nature. https://doi.org/10.1038/s41586-021-03924-2
Ganapathy, A. A., Priya, V. H., & Kumaran, A. (2021). Medicinal plants as a potential source of Phosphodiesterase-5 inhibitors: A review. Journal of Ethnopharmacology, 267, 113536. https://doi.org/10.1016/j.jep.2020.113536
Ganapathy, A. A., Priya, V. M. H., & Kumaran, A. (2020). Medicinal plants as a potential source of Phosphodiseterase-5 inhibitors: A review. Journal of Ethnopharmacology, 267, 113536. https://doi.org/10.1016/j.jep.2020.113536
Goldstein, I., Goren, A., Li, V. W., Tang, W. Y., & Hassan, T. A. (2020). Epidemiology Update of Erectile Dysfunction in Eight Countries with High Burden. Sexual Medicine Reviews, 8(1), 48–58. https://doi.org/10.1016/j.sxmr.2019.06.008
Gunawan, M. (2020). Uji Efektivitas Afrodisiaka Ekstrak Etanol Albedo (Mesocarp) Semangka (Citrullus lanatus (Thunb.) Matsumura & Nakai) Pada Mencit (Mus musculus. Journal of Pharmaceutical And Sciences, 3(1), 42–50. https://doi.org/10.36490/journal-jps.com.v3i1.43
Hadi, S., Anwar, K., Khairunnisa, A., & Komari, N. (2020). Penambatan Molekul Kandungan Eurycoma longifolia Jack. (Pasak bumi) terhadap Human Phosphodiesterase 5. Jurnal Pharmascience, 7(2), 36. https://doi.org/10.20527/jps.v7i2.8731
Jasmine, S. H. (2021). Analisis In Silico Kandungan Senyawa Kimia Tumbuhan Sambiloto (Andrographis paniculata) Terhadap Reseptor Histamin H2 sebagai Anti Tukak Lambung. Disertation Doctoral. Retrieved from https://repositori.usu.ac.id/handle/123456789/44758
Kazemi, E., Zargooshi, J., Kaboudi, M., Heidari, P., Kahrizi, D., Mahaki, B., Mohammadian, Y., Khazaei, H., & Ahmed, K. (2021). A genome-wide association study to identify candidate genes for erectile dysfunction. Briefings in Bioinformatics, 22(4), 1–11. https://doi.org/10.1093/bib/bbaa338
Kesuma, D., Siswandono, S., Purwanto, B. T., & Hardjono, S. (2018). Uji in silico Aktivitas Sitotoksik dan Toksisitas Senyawa Turunan N-(Benzoil)-N’- feniltiourea Sebagai Calon Obat Antikanker. JPSCR : Journal of Pharmaceutical Science and Clinical Research, 3(1), 1. https://doi.org/10.20961/jpscr.v3i1.16266
Lin, Z., Xie, R., Zhong, C., Huang, J., & Shi, P. (2022). Recent progress ( 2015 e 2020 ) in the investigation of the pharmacological effects and mechanisms of ginsenoside Rb 1 , a main active ingredient in Panax ginseng Meyer. Journal of Ginseng Research, 46(1), 39–53. https://doi.org/10.1016/j.jgr.2021.07.008
Makatita, F. A., Wardhani, R., & Nuraini. (2020). Riset In Silico Dalam Pengembangan Sains Di Bidang Pendidikan, Studi Kasus: Analisis Potensi Cendana Sebagai Agen Anti-Aging. Jurnal ABDI, 2(1), 59–67. Retrieved from http://journal.unhas.ac.id/index.php/kpiunhas/article/view/9086
Maleki-Saghooni, N., Karimi, F. Z., Bakhshi, M., & Abdollahi, M. (2020). A systematic review and meta-analysis on the effectiveness and safety of Tribulus terrestris in male fertility problems: Examining semen parameters and erectile function. Italian Journal of Gynaecology and Obstetrics, 32(4), 248–260. https://doi.org/10.36129/jog.32.04.04
Ongaro, A., Zagotto, G., Memo, M., Gianoncelli, A., & Ribaudo, G. (2021). Natural phosphodiesterase 5 (PDE5) inhibitors: a computational approach. Natural Product Research, 35(10), 1648–1653. https://doi.org/10.1080/14786419.2019.1619726
Raheem, O. A., Natale, C., Dick, B., Reddy, A. G., Yousif, A., Khera, M., & Baum, N. (2021). Novel Treatments of Erectile Dysfunction: Review of the Current Literature. Sexual Medicine Reviews, 9(1), 123–132. https://doi.org/10.1016/j.sxmr.2020.03.005
Ruswanto, R., Garna, I. M., Tuslinah, L., Mardianingrum, R., Lestari, T., & Nofianti, T. (2018). Kuersetin, Penghambat Uridin 5-Monofosfat Sintase Sebagai Kandidat Anti-kanker. ALCHEMY Jurnal Penelitian Kimia, 14(2), 236. https://doi.org/10.20961/alchemy.14.2.14396.236-254
Sin, V. J., Anand, G. S., & Koh, H. (2020). Botanical Medicine and Natural Products Used for Erectile Dysfunction. Sexual Medicine Review, 5. https://doi.org/10.1016/j.sxmr.2020.10.005
Wang, W., Li, Z., Xu, J., Wang, Y., Fan, X., & Li, S. (2022). Evolution Mechanism of Water-Conducting Fissures in Overlying Rock Strata with Karst Caves under the Influence of Coal Mining. Geofluids. https://doi.org/10.1155/2022/4064759
Winarta, G. K., Duarsa, G. W. K., & Kandarini, Y. (2020). Perbedaan derajat disfungsi ereksi pada pasien penyakit ginjal kronik derajat 5 sebelum dan setelah menjalani continuous ambulatory peritoneal dialysis. Medicina, 51(3), 551–554. https://doi.org/10.15562/medicina.v51i3.800
Author Biographies
Septiana Indratmoko, Universitas Al-Irsyad Cilacap
Laela Hayu Nurani, Faculty of Pharmacy, Ahmad Dahlan ¬University, Yogyakarta, Indonesia
Iis Wahyuningsih, Faculty of Pharmacy, Ahmad Dahlan ¬University, Yogyakarta, Indonesia
Tia Destari Murti, Faculty of Pharmacy, Science and Technology, ¬Al-Irsyad Cilacap University, Cilacap, Central Java, Indonesia.
Lulu Setiyabudi, Faculty of Pharmacy, Science and Technology, ¬Al-Irsyad Cilacap University, Cilacap, Central Java, Indonesia.
License
Copyright (c) 2023 Septiana Indratmoko, Laela Hayu Nurani, Iis Wahyuningsih, Tia Destari Murti, Lulu Setiyabudi
This work is licensed under a Creative Commons Attribution 4.0 International License.
Authors who publish with Jurnal Penelitian Pendidikan IPA, agree to the following terms:
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution 4.0 International License (CC-BY License). This license allows authors to use all articles, data sets, graphics, and appendices in data mining applications, search engines, web sites, blogs, and other platforms by providing an appropriate reference. The journal allows the author(s) to hold the copyright without restrictions and will retain publishing rights without restrictions.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgment of its initial publication in Jurnal Penelitian Pendidikan IPA.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).