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All Journal Indonesian Journal of Conservation JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Kimia Riset Jurnal Fitofarmaka Indonesia Jurnal Penjaskesrek CARADDE: Jurnal Pengabdian Kepada Masyarakat Jurnal Ilmu Kefarmasian Indonesia Jurnal Jamu Indonesia Pharmacoscript Jurnal Farmamedika (Pharmamedica Journal) SULUH: Jurnal Abdimas Indonesia Natural Research Pharmaceutical Journal (INRPJ) Lumbung Farmasi : Jurnal Ilmu Kefarmasian Mitra Mahajana: Jurnal Pengabdian Masyarakat PROFICIO: Jurnal Pengabdian Masyarakat Pharmaceutical And Biomedical Sciences Journal (PBSJ) Capacitarea : Jurnal Pengabdian Kepada Masyarakat Abdi Implementasi Pancasila: Jurnal Pengabdian kepada Masyarakat Ranah Research : Journal of Multidisciplinary Research and Development Jurnal Ilmiah Multidisiplin Indonesia Jurnal Ilmiah Farmasi Simplisia Aktual : Jurnal Pengabdian Kepada Masyarakat Jurnal Kesehatan Bakti Tunas Husada Aisyah Journal Of Physical Education International Journal of Contemporary Sciences (IJCS) Journal of Natural Product for Degenerative Diseases Indonesian Journal of Jamu
Andri Prasetiyo
Universitas Pancasila
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Journal : International Journal of Contemporary Sciences (IJCS)

 1 
Anchoring Analysis and Simulation of Molecular Dynamics of Dayak Onion Plant Compounds (Eleutherine bulbosa (Mill.) URB.) As an Antibacterial Candidate for Methicillin Resistant Staphylococcus aureus Pratamaa, Yuga; Rina Herowati; Nuraini Harmastuti; Andri Prasetiyo
International Journal of Contemporary Sciences (IJCS) Vol. 1 No. 3 (2024): January 2024
Publisher : PT FORMOSA CENDEKIA GLOBAL

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55927/ijcs.v2i1.8334

Abstract

MRSA infection that is growing and limited treatment is evidence that the handling and treatment of the disease is still inadequate so that appropriate drugs are needed as antibacterial against MRSA, the development of natural products, one of which is the dayak onion plant (Eleutherine bulbosa) which has the potential as antibacterial can be done with computational methods, one of which is molecular tethering, molecular dynamics and ADMET prediction. This study aims to predict the ability of natural compounds from dayak onions as antibacterial MRSA. Tethering and molecular dynamics are performed using AutoDock 4.2 and Yasara Dynamic software. The results showed that compounds with the greatest antibacterial potential were eleucanainones with binding energy of -11.91kcal / mol. The results of molecular tethering are then continued with molecular dynamics simulations. The results of molecular dynamics simulations show that the compound has a Root Mean Square Deviation (RMSD) value that is close to the native ligand. Conclusion: Dayak onion compounds (Eleutherine bulbosa) have potential as antibacterial MRSA
Co-Authors Ade Yeni Aprilia Aey Fadilah, Yasin Agustia, Rini Ahmad Nuruhidin Alwie, Rakhmat Ramdhani Armanjaya, Satria Audrey, Cresentia Bambang Pontjo Priosoeryanto Bastian, Arif Alexander Bella Rofi Bungsudi Desi Nadya Aulena Dhani, Muhammad Esti Mumpuni Esti Mumpuni Esti Mumpuni, Esti Evi Susanti Fadlu Rachman Fajar Ramadhan, Ziko Fitry Angger Pangestu Gayatri Indah Pramesti Gumay, Jovana Renaldy Hakim, Zainur Rahman Hutagaol, Lungguk Indriani, Aqilah Idelia Julian Rahmat Lalu Sanik Wahyu Fadil Amrulloh Lidya Luziana Lilik Sulastri Lilik Sulastri LUNGGUK HUTAGAOL Lungguk Hutagaol Luziana, Lidya Marlien Bokko Martati, Titiek Maulinda, Elvi Sahri Mawijaya, Agus Megawati - Muhamad Yamin Muhamad Yamin Muhammad Yamin Muhammad Zulfadhli, Muhammad Mulatsari, Esti Nabila Prihantini Khairunnisa Natthawani, Amitta Nawasiah, Nana Novi Yantih Noviyantih, Noviyantih NURAINI HARMASTUTI Nurmala Ahmar Nuruhidin, Ahmad Panca Bayu Chandra, Pra Pratama, Rendy Yudha Pratamaa, Yuga Rachman, Fadlu Rachmi Ridho Rahmat, Ayi Ramadhan, Islami Al-Kaffah Ramadhani, Karina Natasya Ramani, Sofyan Raymond R. Tjandrawinata Rhahmadini, Yahdi Thia Risna Rosmiyati Saeful Amin Saeful Amin Salsabila Adlina Saputra, Putri Windari Sarah Annisaa Nurwan Sari Dewi, Rika Sari, Felinda Sekar Harsti Rahmadhani Shaquille, Haikal Shirly Kumala Simanjuntak, Josua Donrio Simanjuntak, Vino Soaduon Siswandono, Siswandono Sodik, Alfan Nur Syaifurrohman, Amir Syamsudin Abdillah Syifa Aulia Taqwa, Iqbal Ananda Ulfa Isni Kurnia Utami, Santi Yanuarti Winana Kartika Dewi Wiwi Winarti Yogaswara, Amira Thufailla Zahra, Nurulita Az Ziko Fajar Ramadhan, Ziko Fajar