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Journal : Makara Journal of Science

In Silico Target Identification for Antioxidant and Anti-inflammatory Activity of Oil Palm Leaves Extract after Biotransformation Process Permatasari, Galuh; Kresnawaty, Irma; Aksa, Annisa Aulia; Santoso, Djoko; Widodo, Widodo
Makara Journal of Science Vol. 29, No. 4
Publisher : UI Scholars Hub

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Abstract

Oil palm leaf extract (OPLE) contains abundant phenolic and flavonoid compounds with recognized antioxidant and anti-inflammatory potential; however, its pharmacological applications remain underexplored. This study aimed to optimize the enrichment process of OPLE and characterize its bioactive compounds using integrated in vitro and in silico approaches. The extraction was optimized by incorporating trichloroacetic acid and extending the incubation time to 48 h, resulting in significantly increased total phenolic content and antioxidant activity compared with the control. LC–MS/MS profiling identified 14 flavonoid compounds with diverse biological functions. Among these, Rhamnetin-3-O-β-D-glucopyranoside, Kaempferol-3-O-rutinoside, and Nelumboroside A exhibited the strongest antioxidant and free radical scavenging activities, while Baicalein-7-O-β-D-glucopyranoside and Kaempferol-3-O-rutinoside demonstrated relatively higher anti-inflammatory potential. Molecular docking and dynamics simulations showed Luteolin as the most promising multifunctional compound, exhibiting stable binding affinities toward LOX5 (−7.5 kcal/mol) and COX2 (−9.6 kcal/mol) targets, with comparable binding residues to the control ligand, Celecoxib. Root mean square deviation and root mean square fluctuation analyses confirmed the stability of the COX2–Luteolin complex, indicating reliable protein–ligand interaction. Furthermore, ADME predictions supported Luteolin’s favorable pharmacokinetic profile, including optimal lipophilicity (logP 0.19) and acceptable oral absorption. Collectively, these results demonstrate the successful optimization of OPLE enrichment and provide molecular-level evidence of its bioactivity. Luteolin emerged as a potential lead compound with balanced antioxidant and anti-inflammatory activities. This study highlights the high biopharmaceutical value of oil palm leaves as a sustainable source of natural therapeutics, promoting their use beyond agricultural waste.
Co-Authors Achmad Yusup, Ciptadi Adi Siswandari, Nur Aditia Wardana, Aditia Aditiawardana Aditiawardana, Aditiawardana Adriyanto, Andhy Tri Agung Dwi Indrawan AHMAD RIDUAN Aksa, Annisa Aulia Anang Budikarso, Anang Andre Noevi Rahmanto Anggraenie, Roesalia Anton Subarno Aprih Santoso Ardityo R Ardhany, Ardityo R Arinana Arinana Artaria Tjempakasari, Artaria Aryandhi, Erki Aryati Aryati Auromiqo, Candra Baiti, Ahmad Awaluddin Barri, Fatkhi Bastin Fitriatus Hasanah Bayu Setiawan Bekti Wulandari Bonita Destiana Budi Sulistijo Cavalier, Etienne Chamdan, Muhammad Umar Chandra Irwanadi Mohani, Chandra Irwanadi Chandra Irwanadi, Chandra chieko Hamada, chieko Christantius Dwiatmadja D Ningsih, D Darharta Dahrin Dewantara Eris, Deden Diposani, Diva Putri Dodi Nandika Dwiatmaja, Christantius Eko Januari Wahyudi Eko Januari Wahyudi Endrizal Era Nurisa Windari Eris, Deden Dewantara Ertanti, Dian Noviana Eti Rohaeti Fadlli, Amin Fikri Fadli Assidqy, Muhammad Firmansyah, Ferdiaz Gama Pradana, Mahardika GHOFIQI, ILYASA AYASY EL Hadipradana, Ikhwannuraziz HAJRIAL ASWIDINNOOR HAPPY WIDIASTUTI Hapsaridian, Sandy Harahap, Pahlawansjah Harahap, Pahlawansyah Hasanuddin Z. Abidin Hasanuddin Z. Abidin Hasanuddin Z. Abidin, Hasanuddin Hendra Grandis Heriyanto Heriyanto Husnun Nadhif, Muhammad I Gusti Bagus Wiksuana I Haryoko, I I Ketut Suada Ichiyu Shou, Ichiyu Ilham Ramadan, Mohammad Indarto Indarto Indhira Hari Kurnia Irmanida Batubara Irwan Irwan Ismail, Mohd Erfy Jatmika, Ujang Rangga Joenil Kahar Joenil Kahar, Joenil Jumiyanto Widodo Karamoy, Ilona Olvy Kartika Yudha, Prasetya Panji Kesi Widjajanti Khoregia, Irene Kresnawaty, Irma Kunimi Maeda, Kunimi Kurniasih, Dwi Kusnilawati, Nunik KUSUMAWAI, CITRA ANDRIANI Kuswardani, DC. La Ode Muhamad Munadi Laesanpura, Agus Lestari, Rohmini Indah Lina Karlinasari Lucia Dhiantika Witasari, Lucia Dhiantika M Thaha, M Maftukhin, Anis Maharani, Ellsa Christy Mahmudah, Hani'ah Mahmudah, Hani’ah Marpaung, Ferdy Royland Maziati, Atina Milchan, Muhamad Milchan, Muhammad Mitsumine Fukui, Mitsumine Moh. Yogiantoro, Moh. Muliyawati, Indria Mulyatni, Agustin Sri Mustofa, Rizqi Azhar Nadziroh, Faridatun Ningsih, Norma Nisa, Karimatun Novia Ramadhani, Natty Nunuk Mardiana, Nunuk Nur Adi Siswandari Nuryake Fajaryati Octavianti, Thirsa Oktariawan, Dimas Pahlawansjah, Pahlawansjah Pardi Pardi, Pardi Permatasari, Galuh PERMATASARI, Galuh Wening Pipit Utami Prabowo, Alvino Dwi Rachman Pradana, Mahardika Gama pranawa pranawa, pranawa Puteri, Fidia Putra, Abdul Aziz Sidiq Tri Rachmayanti, Yanti Raffie Syahdana, Mohammad Rahma Anindita, Sheila Ramadhani, Afifah Dwi RAMADHANI, BINTANG DESTA Ratri, Aestatica Rizka Rizka, Rizka Rusdianti, Endang Sa'adah, Nihayatus Saddewisasi, Wyati Satiti, Rini Satoshi Horikoshi, Satoshi Savitri, Fania SE, Indarto Septyawan, Sandra Setyabudi, Lilik soewanto soewanto, soewanto Sri Mulyatni, Agustin Sri Waluyanti Subagus Wahyuono Sudarsono Sudibyo, Rahardhita Widyatra Sugeng Riyanto Susanti Alawiyah Susanti Alawiyah Tasya, Salsabila Tri P Asmarawati, Tri P Trisintyandika, Idkha Trisni Untari Dewi Umi Rochayati Vera Sadarviana Vera Sadarviana, Vera Wahyudi W. Parnadi Wahyudi W. Parnadi Wahyudi W. Parnadi Wardoyo, Paulus Warsa warsa Warsa Warsa Wawan Gunawan A. Kadir Wawan Gunawan Abdul Kadir Wawan Gunawan Abdul Kadir Wedyanto Kuntjoro Widiastuti, Endang Retna Triwati Widjayanti , Kesi Widodo Widodo Widyastuti, SM Widyatra Sudibyo, Rahardhita Widyatra, Rahardhita Windarto, Danang Alif Yasuhiko Tomino, Yasuhiko Yatini Yatini Yudha, Gawiya Yuli Budiati Yuniarni, Dina Fitria Yusup, Ciptadi Achmad