In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer
Colorectal cancer is one of the deadliest diseases in the world. Treatment to overcome colorectal cancer has been pursued in such a way. Still, theresults are unsatisfactory, so treatment turns to herbal plants such as brotowali (Tinospora crispa) as an alternative colorectal anticancer. T.crispa i...
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indonesian research institute for biotechnology and bioindustry
2025-05-01
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| Series: | Menara Perkebunan |
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| Online Access: | https://mp.iribb.org/mpjurnal/article/view/595 |
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| author | Hanik Isnaini Adinda Amalia Agustin RJ Washeilatus Sholehah Nida Sudarlina Safina Oktafia Luluk Ayu Khodariyah Siwi Putri Mumpuni |
| author_facet | Hanik Isnaini Adinda Amalia Agustin RJ Washeilatus Sholehah Nida Sudarlina Safina Oktafia Luluk Ayu Khodariyah Siwi Putri Mumpuni |
| author_sort | Hanik Isnaini |
| collection | DOAJ |
| description | Colorectal cancer is one of the deadliest diseases in the world. Treatment to overcome colorectal cancer has been pursued in such a way. Still, theresults are unsatisfactory, so treatment turns to herbal plants such as brotowali (Tinospora crispa) as an alternative colorectal anticancer. T.crispa is one of the herbal plants that contains a typical compound in the form of N-acetylnornuciferine and alkaloid-derived active compounds in the form ofN-formylanonaine, N- trans-coumaroyltyramine, and Tyramine which are potential as colorectal anticancer agents. The study used the mTOR(Mammalian Target of Rapamycin) receptor with PDB code (4DRJ) with its native ligand, RAP (receptor-associated protein). This study aims to analyze the potential of colorectal anticancer targeted by active compounds of alkaloid derivatives in T.crispa against mTOR. The method used is to explore active compounds through the KnapSack web and 3D protein structures on NCBI, docking validation using PyMol, tethering compounds N-acetylnornuciferine, N-formylanonaine, N-trans-coumaroyltyramine, and Tyramine to the target ligand using Pyrx and then visualized using BIOVIA Discovery Studio Visualizer. Analysis of the in silico test results showed that the compounds of N-acetylnornuciferine, N-trans-coumaroyltyramine, and Tyramine in T.crispa have good potential as colorectal anticancer agents in low doses but are not recommended for people with heart disease. |
| format | Article |
| id | doaj-art-24d431b1d8ca48189699d33bf846fa2c |
| institution | Kabale University |
| issn | 0125-9318 1858-3768 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | indonesian research institute for biotechnology and bioindustry |
| record_format | Article |
| series | Menara Perkebunan |
| spelling | doaj-art-24d431b1d8ca48189699d33bf846fa2c2025-08-20T03:30:05Zengindonesian research institute for biotechnology and bioindustryMenara Perkebunan0125-93181858-37682025-05-019311220https://doi.org/10.22302/iribb.jur.mp.v93i1.595In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancerHanik Isnaini0Adinda Amalia Agustin RJ1Washeilatus Sholehah2Nida Sudarlina3Safina Oktafia4Luluk Ayu Khodariyah5Siwi Putri Mumpuni6Department of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangDepartment of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangDepartment of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangDepartment of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangDepartment of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangDepartment of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangDepartment of Biology, Faculty of Science and Technology, Maulana Malik Ibrahim State Islamic University of MalangColorectal cancer is one of the deadliest diseases in the world. Treatment to overcome colorectal cancer has been pursued in such a way. Still, theresults are unsatisfactory, so treatment turns to herbal plants such as brotowali (Tinospora crispa) as an alternative colorectal anticancer. T.crispa is one of the herbal plants that contains a typical compound in the form of N-acetylnornuciferine and alkaloid-derived active compounds in the form ofN-formylanonaine, N- trans-coumaroyltyramine, and Tyramine which are potential as colorectal anticancer agents. The study used the mTOR(Mammalian Target of Rapamycin) receptor with PDB code (4DRJ) with its native ligand, RAP (receptor-associated protein). This study aims to analyze the potential of colorectal anticancer targeted by active compounds of alkaloid derivatives in T.crispa against mTOR. The method used is to explore active compounds through the KnapSack web and 3D protein structures on NCBI, docking validation using PyMol, tethering compounds N-acetylnornuciferine, N-formylanonaine, N-trans-coumaroyltyramine, and Tyramine to the target ligand using Pyrx and then visualized using BIOVIA Discovery Studio Visualizer. Analysis of the in silico test results showed that the compounds of N-acetylnornuciferine, N-trans-coumaroyltyramine, and Tyramine in T.crispa have good potential as colorectal anticancer agents in low doses but are not recommended for people with heart disease.https://mp.iribb.org/mpjurnal/article/view/595colorectalanticancermoleculardockingtinosporacrispa |
| spellingShingle | Hanik Isnaini Adinda Amalia Agustin RJ Washeilatus Sholehah Nida Sudarlina Safina Oktafia Luluk Ayu Khodariyah Siwi Putri Mumpuni In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer Menara Perkebunan colorectalanticancer moleculardocking tinosporacrispa |
| title | In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer |
| title_full | In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer |
| title_fullStr | In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer |
| title_full_unstemmed | In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer |
| title_short | In silico test of brotowali (Tinospora crispa) as potential anticancer agent targeting mTOR on colorectal cancer |
| title_sort | in silico test of brotowali tinospora crispa as potential anticancer agent targeting mtor on colorectal cancer |
| topic | colorectalanticancer moleculardocking tinosporacrispa |
| url | https://mp.iribb.org/mpjurnal/article/view/595 |
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