Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer
Cancer is one of the death causes in the world. Many plants act as anticancer, one of them is Curcuma longa. The purpose of this study was to analyze the molecular mechanism of compounds in Curcuma longa as an anticancer using in silico. These research methods included exploration of the active comp...
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| Format: | Article |
| Language: | English |
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Universitas Gadjah Mada
2022-11-01
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| Series: | Journal of Tropical Biodiversity and Biotechnology |
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| Online Access: | https://jurnal.ugm.ac.id/jtbb/article/view/74905 |
| _version_ | 1797900883944538112 |
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| author | Selliana Maretha Wijaya Kusuma Didik Huswo Utomo R Susanti |
| author_facet | Selliana Maretha Wijaya Kusuma Didik Huswo Utomo R Susanti |
| author_sort | Selliana Maretha Wijaya Kusuma |
| collection | DOAJ |
| description | Cancer is one of the death causes in the world. Many plants act as anticancer, one of them is Curcuma longa. The purpose of this study was to analyze the molecular mechanism of compounds in Curcuma longa as an anticancer using in silico. These research methods included exploration of the active compounds of Curcuma longa plants, prediction of their activity, human intestinal absorption test, test of Lipinski's rule of five, molecular docking, and interactions of receptor with compounds as well as signaling pathways. The results showed that Curcuma longa had 20 compounds that have the potential as an anticancer. As many as 5 of the 20 active compounds, namely α-curcumene, curcumenol, curcumin, curcumin II, and curcumin III had a value of Pa > 0.3 and HIA above 80%. The results of molecular docking of α-curcumene, curcumenol, curcumin, curcumin II, and curcumin III compounds with protein receptors of VEGFR-2, EGFR, and FGFR-1 showed ∆Gbind values of -5.0 to -7.5 kcal/mol. The compound in Curcuma longa that had the most effective activity as an anticancer was curcumin with a ∆Gbind value of -7.5 kcal/mol at the FGFR-1 receptor. Curcumin molecular mechanism as antiproliferative was revealed computationally through inhibition of the PI3K/AKT/mTOR pathway. |
| first_indexed | 2024-04-10T08:52:00Z |
| format | Article |
| id | doaj.art-190dadf7ba1b40619a719f326d58cc38 |
| institution | Directory Open Access Journal |
| issn | 2540-9573 2540-9581 |
| language | English |
| last_indexed | 2024-04-10T08:52:00Z |
| publishDate | 2022-11-01 |
| publisher | Universitas Gadjah Mada |
| record_format | Article |
| series | Journal of Tropical Biodiversity and Biotechnology |
| spelling | doaj.art-190dadf7ba1b40619a719f326d58cc382023-02-22T03:18:51ZengUniversitas Gadjah MadaJournal of Tropical Biodiversity and Biotechnology2540-95732540-95812022-11-017310.22146/jtbb.7490532750Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an AnticancerSelliana Maretha Wijaya Kusuma0Didik Huswo Utomo1R Susanti2Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Semarang, Jalan Taman Siswa, Kampus Sekaran, Gunungpati, Semarang, Central Java 50229, IndonesiaGraduate School of Bioagricultural Sciences, Nagoya University, Nagoya 464-8601, Japan.Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Semarang, Jalan Taman Siswa, Kampus Sekaran, Gunungpati, Semarang, Central Java 50229, IndonesiaCancer is one of the death causes in the world. Many plants act as anticancer, one of them is Curcuma longa. The purpose of this study was to analyze the molecular mechanism of compounds in Curcuma longa as an anticancer using in silico. These research methods included exploration of the active compounds of Curcuma longa plants, prediction of their activity, human intestinal absorption test, test of Lipinski's rule of five, molecular docking, and interactions of receptor with compounds as well as signaling pathways. The results showed that Curcuma longa had 20 compounds that have the potential as an anticancer. As many as 5 of the 20 active compounds, namely α-curcumene, curcumenol, curcumin, curcumin II, and curcumin III had a value of Pa > 0.3 and HIA above 80%. The results of molecular docking of α-curcumene, curcumenol, curcumin, curcumin II, and curcumin III compounds with protein receptors of VEGFR-2, EGFR, and FGFR-1 showed ∆Gbind values of -5.0 to -7.5 kcal/mol. The compound in Curcuma longa that had the most effective activity as an anticancer was curcumin with a ∆Gbind value of -7.5 kcal/mol at the FGFR-1 receptor. Curcumin molecular mechanism as antiproliferative was revealed computationally through inhibition of the PI3K/AKT/mTOR pathway.https://jurnal.ugm.ac.id/jtbb/article/view/74905anticancer, curcuma longa, curcumin, in silico, pi3k/akt/mtor pathway |
| spellingShingle | Selliana Maretha Wijaya Kusuma Didik Huswo Utomo R Susanti Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer Journal of Tropical Biodiversity and Biotechnology anticancer, curcuma longa, curcumin, in silico, pi3k/akt/mtor pathway |
| title | Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer |
| title_full | Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer |
| title_fullStr | Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer |
| title_full_unstemmed | Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer |
| title_short | Molecular Mechanism of Inhibition of Cell Proliferation: An In Silico Study of the Active Compounds in <i>Curcuma longa</i> as an Anticancer |
| title_sort | molecular mechanism of inhibition of cell proliferation an in silico study of the active compounds in i curcuma longa i as an anticancer |
| topic | anticancer, curcuma longa, curcumin, in silico, pi3k/akt/mtor pathway |
| url | https://jurnal.ugm.ac.id/jtbb/article/view/74905 |
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