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Journal : Biota

DOCKING MOLEKULER SENYAWA METABOLIT SEKUNDER Lantana camara SEBAGAI ANTIINFLAMASI TERHADAP ENZIM COX-1 Atim Febry Masula; Dian Puspitasari; Eili Supriatin S.W; Khoirul Ummah; Dinik Rokhmatin; M. Musthofa Mubarrok; Ajheng Triyuni Hariza; Isnawati Isnawati; Erlix Rakhmad Purnama
Biota Vol 4 No 2 (2018): Jurnal Biota 2018
Publisher : Faculty of Science and Technology Universitas Islam Negeri Raden Fatah Palembang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.19109/Biota.v4i2.2172

Abstract

Lantana camara contains several types of flavonoids such as Umuhengerin, Lantadene A, Lantadene B, Icterogenin.One of the mechanisms of action of flavonoids as antiinflammatoryis by inhibiting cyclooxygenase receptor (COX). This study aims to determine the affinity of flavonoid compounds contained in L. camara with COX-1 receptors as antiinflammatory and to know the hydrogen bonds that can be formed by using molecular docking method. Testing in silico is done based on computer-aided drug design method. The tools used in this study, the PyRx software, PyMol software, Pubchem (database compound), PDB (Protein Data Bank), and PoseView. Based on the results of the docking and discussion above it can be concluded that the Icterogenin compound and Umuhengerin compound is the most effective compound in antiinflamasi process, Icterogenin compound has a value RMSD 41.1 Å and the value of binding afinity -8.8 and the Umuhengerin compound has value RMSD 1, 61 Å and value of binding affinity -8.0. It shows that the Umuhengerin compound has a resemblance percentage with the target protein because it has a smaller RMSD value than the Icterogenin compound. However, Icterogenin compounds have stronger and more efficient hydrogen bonds than the Umuhengerin compound because of the lowest value of binding affinity.
Co-Authors Abdullah, Lintang Khairana Abidah Abidah Ahmad Afandi Ajheng Triyuni Hariza Akhmad Gazali Al Misry Alfina Zahwa Animah Animah Annisa Salsabilla Albarad Aoda Rusdanillah Arwin Sanjaya Atim Febry Masula Berliana Oka Kirana Putri Cahyani, Lenny Indah Dalimo, Rahmayolanda Dian Puspitasari Dinik Rokhmatin Durroh Humairoh Eili Supriatin S.W Eka Cahya Prima Eko Budi Lelono Erika Maria Resi Erlix Rakhmad Purnama Erna Rahayu Evie Ratnasari Fadilla Kurniawati Fadya Artha Aristanova Faizin Nawarda Fajrul Falah Faradiba Widiasti Farahwati Farahwati Faris Nur Israri Fasya, Ni'ma Farida Febriati Astuti Fithriana, Dina Fitriari Izzatunnisa Muhaimin Fransiska Wulandari Gunung Setiadi Hanum Wahyuningtias Herlina Fitrihidajati I Gede Kusmayana Surya Aditya Imanuel Ruku Iva Khoirus Sa'idah Kardiman Khoirul Ummah Lisa Lisdiana Lolla Amelia Ainun Lukman Lukman Luqmanulhaqim Luqmanulhaqim M. Musthofa Mubarrok M. Thamrin Hidayat Mahanani Tri Asri Mauliana Mauliana Muhammad Irwan Setiawan Muhammad Sapii Harahap Muhammad Yusuf Muhsinin Muhsinin Mulya, Fajar Adi Nanik Indra Rukmana Nur Aini Anisa Nur Azizah Tohiroh Nur Farida Osi Kusumawati Kusumawati Patria, Sylva Pinkan, Ladyqia Cintana Puspitasari, Yasmine Ragu Harming Kristina Raharjo Raharjo Reni Ambarwati Riandi Riandi Rianti, Noni Rifaldi Rifaldi Rohman, Fatkhur RR. Ella Evrita Hestiandari S. Roy Hendrayanto Safitri, Imilda Saiful Akhyar Lubis Sandra As'ari SARI KUSUMA DEWI Siti Sriyati Sukardin, Sukardin Sulastri Putri Susidamaiyanti Susidamaiyanti Thaibah, Noor Titik Respati Tiy Kusmarabbi Karo Wahyu Utami Wanti Wanti Wediawati, Tuti Widia Widia Yolanda Ayu Pratiwi Yusmani Prayogo Zairin Zairin