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All Journal Makara Journal of Science
Kusuma Wardhani, Bantari Wisynu
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In Silico and Toxicological Evaluation of Crescentia Cujete Aqueous Extract: Potential Anticancer Activity Against Breast Cancer Martha, Rahma Diyan; Fatimah, Fatimah; Wibowo, Syahputra; Kusuma Wardhani, Bantari Wisynu; Siregar, Josephine Elizabeth; Novita Coutrier, Elisabeth Farah; Fitrianita, Alfia; Pramono, Andri Pramesyanti; Nainggolan, Ita Margaretha; Nugraha, Yudhi; Danar, Danar; Abiyyu, Naufal; Unsunnidhal, Lalu; Khairullah, Aswin Rafif; Ansori, Arif Nur Muhammad; Parbuntari, Hesty; Widodo, Wimbuh Tri
Makara Journal of Science Vol. 30, No. 2
Publisher : UI Scholars Hub

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Abstract

Majapahit plant (Crescentia cujete), commonly found in Indonesia, has not been extensively explored for its medicinal properties. Given that many cancer treatments are derived from plants, this study aimed to examine the effects of plants on cancer chemical composition of the C. cujete fruit pulp extract, identify its primary compounds, and assess its potential as an antioxidant, anticancer agent, particularly for breast cancer. An insilico approach was used to evaluate the toxicity and interactions, of the compounds with cancer biomarker proteins, in addition to an in vivo Brine Shrimp Lethality Test (BSLT) for BSLT, toxicity screening using six concentrations of the extract (100, 200, 300, 400, and 600 ppm). The extract was obtained by boiling the fruit pulp in distilled water. Compound analysis using liquid chromatography-mass spectrometry (LC-MS) identified approximately 110 compounds, with kaempferol-3-O-rhamnoside (3.29%) and hesperidin (3.19%) being the most abundant. Toxicity analysis using ProTox 3.0 revealed that kaempferol-3-O-rhamnoside exhibited toxicity to the kidney, heart, and lungs, with probabilities of 0.68, 0.82, and 0.51, respectively. Hesperidin was toxic to the kidney and lungs, with probabilities of 0.76 and 0.66. Molecular docking studies with the X-ray spectrometer BRCA1 (P38398 - BRCA1_HUMAN) and BRCA2 (P51587–BRCA2_HUMAN) proteins showed that kaempferol-3- O-rhamnoside formed stable interactions with both proteins, with binding affinities of −7.0 kcal/mol for BRCA1 and -8.1 kcal/mol for BRCA2. Similarly, hesperidin demonstrated stable binding interactions with BRCA1 (binding affinity) of −7.7 kcal/mol) and BRCA2 (binding affinity of −9.0 kcal/mol). The LC50 value for the C. cujete fruit pulp extract was calculated as follows: determined to be 546 ppm (95% CI: 498.3–592.1 ppm), indicating that the extract is toxic and holds potential as an anticancer agent. While individual compounds exhibited organ-specific toxicity, the overall extract was nontoxic, suggesting its potential for further anticancer research. Future studies should focus on additional toxicity testing using cell cultures and mammalian models.
Co-Authors ABIYYU, NAUFAL Adi Sofyan Ansori, Muhammad Andri Pramesyanti Pramono Danar, Danar fatimah Fatimah Fitrianita, Alfia Khairullah, Aswin Rafif MARTHA, RAHMA DIYAN Nainggolan, Ita Margaretha Novita Coutrier, Elisabeth Farah Nugraha, Yudhi Parbuntari, Hesty Siregar, Josephine Elizabeth Unsunnidhal, Lalu Wibowo, Syahputra Wimbuh Tri Widodo