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All Journal Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences JURNAL KIMIA SAINS DAN APLIKASI Teknotan: Jurnal Industri Teknologi Pertanian Biotropika Jurnal Ilmu Kimia Universitas Brawijaya Journal of Degraded and Mining Lands Management Journal of Innovation and Applied Technology Jurnal Pembangunan dan Alam Lestari Natural B The Journal of Pure and Applied Chemistry Research Jurnal Penelitian Pendidikan IPA (JPPIPA) Indonesian Journal of Chemistry Indonesian Food Science and TechnologyJournal Media Akuakultur ALKIMIA : Jurnal Ilmu Kimia dan Terapan Makara Journal of Science Bulletin of Chemical Reaction Engineering & Catalysis
Siti Mariyah Ulfa
Department Of Chemistry, Faculty Of Mathematics And Natural Sciences, Brawijaya University, Jl. Veteran, Malang 65145, Indonesia
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Education Engineering Environmental Science Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Physics Social Sciences Other

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Journal : biotropika

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Integrative Phytochemical and Computational Study of Curcuma aeruginosa as a Natural PI3K/AKT-1 Inhibitor Against HCC Khairi, Elvina Rashida; Widyananda, Muhammad Hermawan; Dwijayanti, Dinia Rizqi; Annisa, Yuslinda; Ulfa, Siti Mariyah; Widodo, Nashi
Biotropika: Journal of Tropical Biology Vol. 14 No. 2 (2026)
Publisher : Universitas Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.biotropika.2026.014.02.04

Abstract

Curcuma aeruginosa RoxB., a medicinal plant known for its diverse pharmacological properties, has shown promising anticancer potential. In this context, the search for multitarget natural compounds remains a key strategy for developing safer and more effective therapies for hepatocellular carcinoma (HCC). Therefore, this study aimed to characterise the phytochemical composition of C. aeruginosa ethanolic extract and its fractions, and to investigate their potential molecular mechanisms against HCC through in silico approaches. Phytochemical quantification revealed that the ethanolic extract contained high levels of phenolic compounds, consistent with the LC-HRMS detection of phenol and phenylpropanoid derivatives. Conversely, the low total terpenoid content may be due to the use of linalool as a single standard, as the LC-HRMS results indicated abundant terpenoid constituents. Drug-likeness and bioactivity screening of the identified compounds revealed eight candidates with potential anticancer properties, including PTOX, 4’-demethylepipodophyllotoxin, dehydrocostus lactone, tretinoin, and vitamin A. Network and molecular docking analysis indicated that these compounds primarily target proteins involved in apoptosis and cancer-related pathways, particularly PI3K and AKT1. Molecular dynamics simulations confirmed the stability of the selected protein-ligand complexes, with PTOX and 4’-demethylepipodophyllotoxin showing the most favourable interactions with both target proteins. Collectively, these findings highlight C. aeruginosa, especially its crude ethanol extract, as a potential source of multitarget natural inhibitors against PI3K and AKT1, supporting its potential role as a promising candidate for the development of natural-based anti-HCC agents.
Co-Authors A.A. Ketut Agung Cahyawan W Adam Mahfud Ade Cintyia Sally Al zamzami, Ilham Misbakudin Alma Miranda Amaniyah, Amaniyah Amin, Abd Aziz Amini, Helda Wika Ananda, Regina Ridha Andi Kurniawan Andi Kurniawan Anggayasti, Wresti L. Anjani, Ryzki Martha Annisa, Yuslinda Arda Rista Lestari Budi Kamulyan Caterina Widya Astutik Chairulita Putri Kusumaningsih Destiara, Irena Amelia Dinia Rizqi Dwijayanti Dwi Susanti, Yogita Ayu Edi Priyo Utomo Edi Priyo Utomo Edi Priyo Utomo Efani, Anton Eka Novitasari Elvina Dhiaul Iftitah Elvina Dhiaul Iftitah Elvina Dhiaul Iftitah Esya, Firdausy Amalina Fadlilah, Lilik Nur Fath Dwisari Fatma, Aliya Galisong, Ridwan Danuarta Grahadi, Rahmat Gunawan, Firza Rajasa Hapsari, Febriyana Rizky Helda Wika Amini Hermanto, Feri Eko Hermin Sulistyarti Hidayatul Mustafidah Hideki Okamoto Hideki Okamoto Iftitah, Elvina Dhiaul Ikhtiarini, Nur Indah Nur Pramesti Inra Sari Irfan Mustafa Kamila, Fairuz Sarah Karimah Karimah Khairi, Elvina Rashida Kyosuke Satake Kyosuke Satake Lisa Aulia, Lisa Listianingsih, Lia Lukman Hakim Lutfi Ni’matus Salamah Luthfia Ayu Dhea M. Farid Rahman Maharani Pertiwi Koentjoro Mahfuzh Huda Masruri Masruri Masruri Masruri Masruri Meray, Nishia Waya Moehammad, Khibar Syiar Mohammad Elham Firdaus Momodou Salieu Sowe Momodou Salieu Sowe Muzdhalifa, Sefira Putri Nashi Widodo Nisa', Khibrun Nuraini Uswatun Chasana Pangesti, Laras Pramudia, Zulkisam Pratama, Safreno Panggih Pratiwi, Rahmania Tulus Setya Prihartini, Dita Puspitasari, Rizka Dwitya Rachmat Triandi Tjahjanto Rizka Fauzia Ohorella Rizqi Alima Fabri, Ahmad Rosyadah, Nuraini Rurini Retnowati Safitri, Anna Salamah, Lutfi Ni’matus Suratmo Suratmo, Suratmo SUTRISNO Sutrisno, Sutrisno Utomo, Edi Priyo Wardani, Eris Agustin Warsito Warsito Widia Edy Kuncoro Widodo Widodo Widyananda, Muhammad Hermawan Yanuar, Adi Tiya Yosua Yosua Yulistian, Dhoni Prielananta Yusnawan, Eriyanto Yusuf Hendrawan Zahara, Izaz Aqeiluz