Thamrin, William and Joscelino Huang, Audie and Jonathan, Kenny and Ximenes Belo, Meliana and Wahyudi, Mariana and Antonius, Yulanda (2025) Bajakah Plant Compounds as Potential Therapy for HER2-Positive Breast Cancer. Jordan Journal of Pharmaceutical Sciences, - (-). ISSN - (In Press)
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Abstract
Breast cancer is the most prevalent cancer case in Indonesia and it causes 20.4% of female deaths. HER2-positive breast cancer is less common but more aggressive, leading patients to seek alternative treatments due to side effects from standard therapies. The Bajakah plant (Spatholobus suberectus) is traditionally used by the Dayak people for treating various healthy treatment. Therefore, this research aimed to evaluate compounds from Bajakah plant against HER2 protein. Ten compounds were analyzed for biological activity using PASS Online, toxicity level was identified with Protox-3, and drug-likeness was analyzed by using SWISS ADME. Moreover, molecular docking simulation with Pyrx software and SwissDock using attracting cavities 2.0 (AC 2.0) assessed interaction of compounds toward HER2 (PDB ID: 3PP0) with Lapatinib as control. Cavityplus and Discovery Studio software identified potential binding sites and amino acid residues in the compound-protein complex, while PerMM webserver analyzed membrane permeability. Results indicated that most compounds are safe, exhibited anti-inflammatory, antineoplastic, antimetastatic, and antioxidant activities, also fulfilled the Lipinski’s rule of five. Furthermore, butin and cajanin compound demonstrated binding affinity score with -9.9 and -9.8 kCal/mol, respectively, which also closely approximated to control and futher proven its binding confomation and potential by AC 2.0. Those compounds also shared similar amino acid residue as control. In conclusion, control had stronger interaction toward HER2 protein as compared to butin and cajanin compound. Hence, further in vitro analysis with MTT-assay using breast cancer cell line MCF-7 is needed for confirmation and in vivo studies to validate and assess their therapeutic efficacy.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | attracting cavities 2.0, bajakah plant, breast cancer, cajanin, HER2 |
| Subjects: | Q Science > Q Science (General) |
| Divisions: | Faculty of Technobiology > Department of Biology |
| Depositing User: | WILLIAM THAMRIN |
| Date Deposited: | 05 Aug 2025 05:15 |
| Last Modified: | 05 Aug 2025 05:15 |
| URI: | http://repository.ubaya.ac.id/id/eprint/49312 |
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