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All Journal Indonesian Journal of Cancer Chemoprevention Universitas Muhammadiyah Yogyakarta Undergraduate Conference Proceeding
Amaliyah, Alfiah
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Civil Engineering, Building, Construction & Architecture Economics, Econometrics & Finance Education Medicine & Pharmacology Public Health Social Sciences

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Anti-Breast Cancer and Pharmacokinetic Prediction of Isorhamnetin, Glucocapparine Capparisine A And B From Capparis Spinosa Amaliyah, Alfiah; Hasan, Mohammed A.H.M
Proceedings of Universitas Muhammadiyah Yogyakarta Graduate Conference Vol. 3 No. 2 (2024): Crafting Innovation for Global Benefit
Publisher : Universitas Muhammadiyah Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18196/umygrace.v3i2.586

Abstract

The discovery of new natural anticancer agents is considered a remarkable solution to prevent drug resistance and metastasis in breast cancer patients. The Capparis spinosa plant is widely known for its antioxidant and other therapeutic effects. This study aims to evaluate anti-breast cancer activity targeting Akt1 and HIF1A proteins of several phytochemicals in Capparis spinosa through in silico methods and their pharmacokinetic prediction. This research is an in-silico study involving Bioinformatics (PASS Analysis with STITCH & STRING), Molecular Docking, and pkCSM Analysis. According to bioinformatics methods, AKT1 and HIF1A were obtained as potential protein targets. In molecular docking to AKT1 protein, the docking score obtained for Isorhamnetin, Glucocapparine, Capparisine A, Capparisine B, and Ipatasertib as control were -6.2 kcal/mol, -5.3 kcal/mol, -4.9 kcal/mol, -4.9 kcal/mol, and -6.2 kcal/mol respectively. Meanwhile, the docking score for HIF1A protein for Isorhamnetin, Glucocapparine, Capparisine A, Capparisine B, and 2-methoxy estradiol as control was -5.2 kcal/mol, -4.7 kcal/mol, -4.4 kcal/mol, -4.3 kcal/mol, and -4.7 kcal/mol. The scores for each compound were like the controls in both proteins, indicating that the analyzed phytochemicals of Capparis spinosa have potential anti-breast cancer properties. Pharmacokinetic prediction for absorption, distribution, metabolism, excretion, and toxicity (ADMET) is also provided to help further studies and development for the compounds as anticancer drugs. This study provided data from in silico methods regarding anti-breast cancer supported with pharmacokinetic activities for Isorhamnetin, Glucocapparine Capparisine A, and Capparisine B, which will be helpful as a reference for other advanced research in the future.
Anti-Lung Cancer and Cell Migration Inhibition Properties of Ethyl Acetate Extract of Selaginella doederleinii Towards HTB-183 Cells through In Silico and In Vitro Approach Amaliyah, Alfiah; Kusumaningtyas, Triana Arum; Febriansah, Rifki
Indonesian Journal of Cancer Chemoprevention Vol 15, No 1 (2024)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev15iss1pp1-17

Abstract

Continuous research and development to obtain novel anti-lung cancer agents is essential, considering the high prevalence and mortality of the disease. The biflavonoid compounds of Selaginella doederleinii showed significant anticancer activities. This study aims to determine the cytotoxic and cell migration inhibition properties of ethyl acetate extract of Selaginella doederleinii (EAESD) against HTB-183 cells through in silico and in vitro methods. This study started with extraction and then identified biflavonoids in EAESD by HPLC. In vitro analysis was conducted through MTT Assay to observe the cytotoxic properties of EAESD and Wound Scratch Healing Assay to observe its cell migration inhibitory properties. In silico studies to obtain the potential anti-lung cancer compounds and their protein targets were conducted through bioinformatics, combining PASS analysis, Swiss Target Prediction, and STITCH. The obtained compounds and protein targets were analyzed in Molecular Docking to evaluate the binding affinities. The result showed that EAESD contained biflavonoid compounds, exhibited cytotoxic activity with an IC50 value of 190 μg/ml, and inhibited the migration rate of HTB-183 cells. Based on in silico analysis, the three biflavonoids with the highest potential of antilung cancer activity along with their target protein are robustaflavone 7,4-dimethyl ether with EGFR, heveaflavone with ESR1, and 7,4',7'',4'''-tetra-O-methyl-amentoflavonewith TNF. All compounds can bind to each protein target with the docking score -9.2 kcal/mol, -9.5 kcal/mol, and -6.5 kcal/mol, respectively. This study suggested preliminary data regarding the potential of Selaginella doederleinii to inhibit the proliferation and migration of the HTB-183 cell line of lung cancer.Keywords: Selaginella doederleinii, HTB-183, cytotoxicity, cell migration, in silico analysis.
Co-Authors Hasan, Mohammed A.H.M Kusumaningtyas, Triana Arum Rifki Febriansah