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In Silico Study of Moringa Leaf (Moringa oleifera L.) Compounds as an Antiproliferative in Hepatocellular Carcinoma against TGF-β Receptor Arnees Angzora; Athena Lilavya Putri; Johanna Felicia Susanto; Kathlia Putri Alyanisa; Debian Mydea Erliputeri; Nawadhir Fauzan; Shela Salsabila; Muchtaridi Muchtaridi
ALCHEMY Jurnal Penelitian Kimia Vol 22, No 1 (2026): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.22.1.105514.74-87

Abstract

Liver cancer is a condition in which liver cells grow uncontrollably. Liver cancer, also known as hepatoma, occurs when cells proliferate and acquire malignant properties. Liver cancer is among the types of cancer with a high contribution to global mortality rates each year. This study aims to predict and identify the activity of compounds isolated from Moringa leaves (Moringa oleifera L.) against liver cancer by targeting the TGF-β receptor using molecular docking. The research was conducted using software tools including LigandScout, ADMETlab 2.0, BIOVIA Discovery Studio Visualizer, and AutoDock Tools. The results showed that ten out of eleven test compounds from Moringa oleifera L. leaves met Lipinski's Rule of Five, indicating their potential as good oral drug candidates. Pharmacophore screening yielded an AUC100 value of 0.94 with three hit compounds: rutin, kaempferol, and isorhamnetin. In the molecular docking stage, the compound with the lowest binding energy was Isorhamnetin, with a binding energy of -8.18 kcal/mol against the TGF-β receptor, and it also demonstrated a favorable ADMET profile.
Co-Authors A. A. Putri A. Diantini - A. Khalilah A. L. Triadenda A. Mutalib - Abdul Mutalib Abdul Mutalib Abednego K. Gwiharto Abednego Kristande Abun Abun Abun Ade Rizqi Ridwan Firdaus Ade Zuhrotun Adhinagoro, Bagus Aeni, Wida Nur Ahmadi, Nurish Farisha Ahsanul Haq, Fahmi Ajeng Diantini, Ajeng Akmal Taufiqur Rahman Al Faruq, Muhammad Ariq Alifa Dhia Shalima Aliya Nur Hasanah Alya Novia Hanifa Ami Tjiraresmi Anas Subarnas Anas Subarnas Andini, Nasywa Putri Andri Kusmayadi Andri Nugraha Nugraha Sutomo Angga Geganaputra Anggi, Joseph Fide Anggraeni, Diyani Sovia Annisa Rafashafly Anton Apriyantono Aprilio, Kevin Arief Cahyanto Arif Budiman Arif Budiman Arnees Angzora Asep Kuswandi Asep Nurrahman Yulianto ASMAN SADINO, ASMAN Athaya, Salsabila Athena Lilavya Putri Atusholihah, Annisa Ayu Nursiti Fatimah Aziz, Calista Sasikirana Finola Bagus Adhinagoro Banowati, Nadya Dwi Basuki Hidayat C. Suhandi Cecep Suhandi Chindiana Khutami Christine Christine Christy, Alicia CINDY APRILLIANIE WIJAYA Cindy Aprillianie Wijaya Cleopatra D. Semesta Debian Mydea Erliputeri Desra Widdy Syafra Destia, Melsa Devani Olivia Winardi Dewi Permatasari Dewi, Humaira Praswatika Dhania Novitasari Dhania Novitasari Diah Lia Aulifa Diantini, A. - Dilal Adlin Fadil Dini Rochdiani Dipadharma, Ratu Hanifa Fayza Djamaluddin, Muhammad Ilham Dolih Gozali E. Laelasari E. Novianti Eli Halimah, Eli Ellen N. Yunita Elsa N. Sitinjak Elvan Kamal Elvian, Elvian F. Ardiansyah Fadhilah, Ersa Fadil, Dilal Adlin Fadil, Dilal Adlin Fahriza Ardiansyah Faizal Hermanto Fakhirah, Maitsa Alya Fatharan, Rahma Haniyyah FATHIA NABILA AULANI Fatiya, Nadia Ulil Fernanda, Frisca Florencia, Carla Ganendra Akbar Hadiyanto Garneta Izzati Herdy Putri Gazzali, Amirah Mohd Gia A. Faradiba Gin Gin Ginanjar, Gin Gin Gofarana Wilar Gramita, Widya Siva Hadiwijaya, Nathannael Adrya Hafidh Beta Arif Putra Hanifahzin Khatami Hartono, Sugianto Ayudha Hasna Chaerunisa Herlina Herlina I Made Joni I. R. Hartanti Ichsani, Luthfia Nur Ida Ayumiati Ida Musfiroh Ida Musfiroh Ida Musfiroh -, Ida Musfiroh Ikram, NKK Imam Adi Wicaksono Iyan Sopyan Jessica Tristi Jessyca Sirait Jhoni, I Made Johanna Felicia Susanto Johnessa Cung Jutti Levita Karyadi Karyadi Karyn Elizabeth Kathlia Putri Alyanisa Keiichi Motoyama Kevin Reinard Lie Kezia Stella Carmencinta Salvi Khairul Ikram, Emmy Hainida Khairul Ikram, Nur Kusaira Kusnadi, Ivanna Fauziyah L. Pangestu Lestyawan, Samuel Levita, J. - Liawardi, Petra Pahlawanda Chrisanto Lovita Adriani Luthfi Ihsan Sulaeman Luthfi U Setyawati Luthfi U. Setyawati Luthfi Utami Setyawati Mardisanutol, Harsoning Tyas Mardisanutomo, Harsoning Tyas Marhaendra, Laurentius Ivan Ageng Martalena Ramli MEGANTARA, SANDRA Meilia Suherman Meilinda setya praceka MELISSA MELISSA Mentari Luthfika Dewi Mohamad Taufik Ismullah Monica Richelle Herdady Muhammad Ryan Radix Rahardhian Muhammad Syahid Abdillah Muhammad Yusuf Muhammad Yusuf Muhammad, Rosmaliza Mulyana - - Musfiroh, I. - Mustarichie, R. - Mutakin Mutakin N. Elly Rosilawati N. N. Auliya AS Nabila Alivia Yasmin Nabilah Muhamad NAELI FARHATY Nahariyah, St. Rohmani Nalia El-Huda Ismail Napitupulu, Gloria Nasrul Wathoni Nawadhir Fauzan Nawadhir Fauzan Nazwa N. Mikdar Neli Neli Nia Yuniarsih Norisca A. Putriana Norisca Aliza Putri Norisca Aliza Putri Nurhanifah Puspitadewi Nurhidayah, Wiwit Nurjanah, Yuni Nursuhud Nursuhud Nursuhud Nurulaini, Siti Nunung NUZAHA BAQIYATUS SHOLIHAH AZIMAH Oktariani, Anisa Pebriani, Fathia Pratomo, Muhammad Fadhil Prayoga, Randy Rassi Ramdani, Aura Radiatia Sesiani Refitha N. Putri Renggana, Hesti Richa Mardianingrum Rina Fajri Nuwarda Risda R Islamiyati Risda Rahmi Islamiaty Riska Febriyanti Riska Prasetiawati Riska Prasetiawati, Riska Riyaldi, Muhammad Raihan Ronny Lesmana Rusdin, Agus S. Hidayat Salsa Sagitasa Salsabila, Salma Salsabila, Shela Salsabilla, Bunga Indra Savira Silma Aulia Setyawati, Luthfi Utami Setyowati, Lulu Alya Shafa Nurul Fadilah Shela Salsabila Shela Salsabila Siagian, Virginia Heaven Mariboto Silvia, Nurfianti Sitti Faza Karima Slamet Budijanto Sri Adi Sumiwi Sri Aguswarini Sri Gustini Husein Stepanus Massora Sugianto, Nada Sekar Martani Suhandi, Cecep Suhendi, Cece Suryanto, Rajwa Dwifauza Susy Tjahjani Susyati Susyati Suwandi, Deden Winda Syahla Afaaf Alliyah Syahrul Hidayat T. N. Apriliya Taofik Rusdiana TIANA MILANDA TIARA SALSABILA MAJID Tina Rostinawati Udin. L.Z - Ujang Hidayat Tanuwiria Valeri Belliana Sanjaya W. Oktavelia Wa Ode Ida Fitriah Warid Ali Qosim Wirantono, Sebastian Nathanoel Yasmiwar Susilawati Yohana Faustine Yuarsa Yudi Rosandi Yulianto, Asep Nurrahman Yunita Al-Azzahra Yustiandini, Benedicta Andrea Zahra, Citra Aulia Zelika Mega Ramadhania