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Journal : Smart Medical Journal

Potensi Scopoletin sebagai Agonis Reseptor Transferin 2 untuk Pengembangan Terapi Anemia Defisiensi Besi Asti Swari Paramanindita; Dono Indarto; Balgis Balgis
Smart Medical Journal Vol 1, No 1 (2018): Smart Medical Journal
Publisher : Faculty of Medicine Universitas Sebelas Maret

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (458.613 KB) | DOI: 10.13057/smj.v1i1.25024

Abstract

Introduction: Iron Deficiency Anemia (IDA) is caused by imbalance between iron intake and iron loss in blood circulation. Increased hepcidin level plays an important role in the etiology of IDA. Normally, expression of hepcidin protein is controlled by three different pathways, one of them is interaction between holo Transferin (Holo-Tf) and Transferrin Receptor 2 (TfR-2). Recently, Indonesian herbal plants have widely been used as herbal medicine but there is no active compound that can activate TfR-2 for IDA therapy. The aim of this study was to explore phytochemicals derived from Indonesian herbal plants to interact with TfR-2.Methods: The study was a bioinformatics study with a molecular docking method. The SWISS-MODEL software was used to make TfR-2 protein modeling because the molecular structure of TfR-2 remains unknown. Holo-Tf was used as a standard ligand and obtained from Protein Data Bank with PDB ID 1SUV. All Indonesian phytochemicals which (1) registered at HerbalDB (2) had a three-dimensional molecular structure at PubChem (3) met Lipinski’s Rule of Five criteria were used in this study. AutoDock Vina 1.1.2 was used to analyze the binding affinity which was in kcal/mol. Phytochemical-TfR-2 binding complexes were visualized by using Chimera 1.10rc and or Pymol 1.7.Result: The docking scores of holo-Tf modification with TfR-2 were -6,4±0,1 kcal/mol at Arg466 and -3,4±0,1 kcal/mol at Arg689 respectively. Interaction of modification holo-Tf and TfR-2 was observed not only at Arg466 and Arg689 but also with Asp642 and Ile682. Docking scores of scopoletin were -7,1±0,1 kcal/mol at Arg466 and -5,4±0,1 kcal/mol at Arg689. Scopoletin could interact with TfR-2 at Arg466, Arg689, and Leu630 residues.Conclusions: Computationally, scopoletin is a potential TfR-2 agonist. In future studies, in vitro assay will be used to evaluate the agonist effect of scopoletin in TfR-2. 
Co-Authors ., Hudiyono A.A. Ketut Agung Cahyawan W Adam Haviyan Nasrullah Adi Prayitno Afdhaliya, Noor Khalwati Agus Kristiyanto Ahmad Hamim Sadewa Akbar, Muh. Syaiful Alfian Abdul Rajab Ali Djamhuri Ambar Mudigdo Amilia Yuni Damayanti Andina, Puri Dwi Argyo Demartoto, Argyo Ari Natalia Probandari Arief Suryono Arta Farmawati Asti Swari Paramanindita Astri Purwanti Avelia, Annisa Ayusari, Amelya Augusthina Azizah, Shofura Azzumar, Farchan Badri, Baarizah Febriana Balgis . Balgis . Balgis Balgis Balgis Balgis Bambang Purwanto Baruroh, Durotul Bhisma Murti Brian Wasita Brian Wasita Brian Wasita Brian Wasita Brian Wasita Budianto, Pepi Budiyanti Wiboworini Budiyanti, Novita Damayanti, Ana Dandi Sanjaya Dea Linia Romadhoni Dewi, Dwi Hananta Diah Kurnia Mirawati Dian Eka Widyasari Didik Gunawan Tamtomo Didik Gunawan Tamtomo Didik T Subekti Didik Tamtomo, Didik Diffah Hanim Diffah Hanim Diffah Hanim Diffah Hanim Diffah Hanim Dina Okfina Ria Dinar Putri Rahmawati Diyantana, Wawan Endang Sutisna Sulaeman Ernawati Ernawati Eti Poncorini Pamungkasari Eti Poncorini Pamungkasari Fadhila Balqis Nurfitria Fajar Alam Putra, Fajar Alam Fara Ayu Febyawati, Hani Farchan Azzumar Firdaus, Jihan Fista Utami Fitriana Fitriana Gilang Akbar Shobirin Gracia, Vera Viviana Deo Hambarsari, Yetty Hamidi, Baarid Luqman Hani Fara Ayu Febyawati Hartono Hartono Hastami, Yunia Hastuti, Nunik Maya Hermanu Joebagio HERU SULASTOMO Heru Sulastomo Herviana, Herviana Hudiyono . Hutabarat, Ervina Arta Jayanti Ida Ayu Putu Sri Widnyani Ida Nurwati Ida Nurwati Inayati Inayati Indah Kusumawati Irma Isnafia Arief Isfaizah Isti Sundari Iwansyah, Ade Chandra Jatmiko Susilo Jatu Aphridasari Jusup, Sinu Andhi Jusup, Sinu Andhi K Kusnandar Kezia Elian Devina Kurniagung, Philipus Prihantiko Kusnandar Kusnandar Kusnandar, K Kusumadewi Eka Damayanti Kusumadewi Eka Damayanti Kusumadewi Eka Damayanti Laksana, Budi Liana, Gladya Lady Lilik Wijayanti Luberta Ebta Wiyani M Rizal Permadi M. Yogi Riyantama Isjoni Mahendra Wijaya Martha Arum Nugraheni Maryati, Warsi Mashuri, Yusuf Ari Mila Ulfia Muchsin Doewes Muhammad, Faizal Muthmainah Muthmainah Nanda Eka Sri Sejati Nasrullah, Adam Haviyan Ningrum, Sri Setiyo NINGRUM, TYAS SARI RATNA Niniek Purwaningtyas Niniek Purwaningtyas NITYASEWAKA, PRATHITA Noor Khalwati Afdhaliya Nor Istiqomah Nor Istiqomah Nor Istiqomah Nugraheni, Martha Arum Nugroho, Anung N. Nunuk Suryani Nurfitria, Fadhila Balqis Nurinasari, Hafi Nurochim, Erna Nurwati, Ida Nurwijayanti Oktaviani, Ratna Pamungkasari, Eti P. Paramasari Dirgahayu Paramasari Dirgahayu Perdana, Muhammad Vidi Pesik, Riza N. Prabaningtyas, Hanindia Riani Prahesti, Ratna Prasetyaningsih, Roh Hastuti Pratama, Yoga Mulia PRATHITA NITYASEWAKA Pratiwi, Ayudhia Purnama, Siswanta Jaka Purwaningsih, Yustina Puspita, Rumeyda Chitra Putri, Anak Agung Alit Kirti Estuti Narendra Putri, Risma Aliviani Putri, Widya Kaharani R. Aj. Sri Wulandari Rahardjo, Setyo Sri Rahardjo, Setyo Sri RAJ Sri Wulandari Ratih D. Yudhani Ratna Kusumawati Ratna Kusumawati Ratna Kusumawati Ratna Oktaviani Retiyansa, Yesi Retiyansa, Yesi Reviono Reviono Ristinawati, Ira Risya Cilmiaty AR Risya Cilmiaty, Risya Rivan Danuaji Riza N. Pesik Riza Novierta Pesik Riza Novierta Pesik RUBEN DHARMAWAN Sajidan Sarah Safira Umarghanies Sari, Septi Ayu Arum Yuspita Satriani, Hayu Andita Sejati, Nanda Eka Sri Selfi Handayani Selfi Handayani Sena, Anantha Setyaningrum, Th. Catur Wulan Setyo Sri Rahardjo Setyo Sri Rahardjo Shanti Listyawati Shanti Listyawati Sinu Andhi Jusup Soetrisno Soetrisno Soetrisno Sri Sulistyowati Sri Wulandari Sri Wulandari Sugiarto - Sugiarto S Sugiarto Sugiarto Sugiarto Sugiarto Suminah Suminah Sunarto Tetes Lugito Sundari, Isti Suradi Suradi SUROTO SURYAWATI, BETTY Susanti, Rahmah Purwaningsih Febri Suselo, Yuliana Heri Suselo, Yuliana Heri SUSELO, YULIANA HERI Suselo, Yuliana Heri Susilawati, Eva Tamtomo, Didik Gunawan Tantri Febriana Putri Tedjo, Raden Andi Ario Tejomukti, Teddy Thesman, Inggrit Bela Tiyas, Dwi Wahyuning Tonang Dwi Ardyanto Tri Agustina Tri Agustina, Tri Tri Harsono Tri Harsono Tri Nugraha Susilawati Ulfia, Mila Umarghanies, Sarah Safira Utami, Agustina Dwi Vitri Widyaningsih Vitria Sari Dewi Vitria Sari Dewi Wahyuni, Ardianti Wardhani, Lusi Oka Wariyanti, Astri Sri Widiasih, Ghina Widyanti, Fera Wijayanti, Poppy Winda Rizki Pebrina Batubara Wulandari, R. AJ. Sri Wulandari, RAJ Sri Yarso, Kristanto Y. Yatty Destani Sandy Yoga Mulia Pratama Yudhani, Ratih D. yulia lanti retno dewi Yuliana Heri Soesilo Yuliana Heri Soesilo Yuliana Heri Soesilo Yuliana Heri Suselo Yuliana Heri Suselo Yuliana Heri Suselo Yunilla Prabandari Yusrizal, Mirza