Hendra Susanto, Surjani Wonorahardjo, Wira Eka Putra, Ahmad Taufiq, Sunaryono, Dianvita Nur Fadhilah, Siti Bachrotus Recha Nur Fa’ida, Sadiyatul Rizqie Amaliyah Firdaus, Moch Sholeh, Nik Ahmad Nizam Nik Malek
Hepatocellular carcinoma (HCC) is one of the deadliest types of cancer with a mortality rate of 8.9% of the total cancer deaths in Indonesia. This cancer can be caused by exposure to hepatitis B and C viruses, NAFLD, autoimmune, diabetes to sporadic genetic diseases. The development of chronic HCC is generally preceded by the occurrence of severe liver fibrosis and cirrhosis. One of the genes that play a role in fibrosis in the incidence of HCC is TGF-β1. As a pro-fibrotic cytokine, the presence of high levels of TGF-β1 may be due to oxidative stress activity early in cancer development. One of the natural ingredients with lots of phytochemical content in the form of antioxidants that can reduce this activity is Moringa plant (Moringa oleifera). In this study we used a computational approach using molecular docking on the results of the GC-MS and LC-HRMS tests on Moringa oleifera Seed Oil (MOSEIL) and Moringa oleifera Leaves Powder (MOLP) which are oil and flour products made from moringa. The results of the identification of phytochemical compounds through the GC-MS test showed that the dominant compound in MOSEIL was oleic acid (37.546%) and in MOLP was ester (8.802%) when using n-hexane as solvent. The percentage yield of the dominant compound from the LC-HRMS test in MOSEIL was nitro compound (72.55%) and at MOLP was alcohol (45.87%). These compounds are known to have effects as hepatoprotective agents through antioxidant, anti-inflammatory, and anti-fibrotic activities that can reduce hepatic oxidative stress as an early trigger of cancer development. Through molecular docking, MOSEIL and MOLP showed a lower level of binding affinity when compared to TGF-β1 control drugs such as metformin. This data implies MOSEIL and MOLP have a strong interaction to TGF-β1 than the control drug. The therapeutic potential of the hepatoprotective properties of MOSEIL and MOLP makes them one of the most-promising therapeutic agents in the initial step of renewable cancer treatment therapy. ©Copyright Susanto.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Malang, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Malang, Indonesia; Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Malang, Indonesia; Centre of Advanced Materials for Renewable Energy (CAMRY), Universitas Negeri Malang, East Java, Malang, Indonesia; Department of Biosciences, Faculty of Science, Universiti Teknologi Malaysia (UTM), Johor, Johor Bahru, 81310, Malaysia; Centre for Sustainable Nanomaterials (CSNano), Ibnu Sina Institute for Scientific and Industrial Research (ISI-ISIR), Universiti Teknologi Malaysia (UTM), Johor, Johor Bahru, 81310, Malaysia