Research Journal of Pharmacy and Technology
SCOPUS
  • Year: 2024
  • Volume: 17
  • Issue: 5

Molecular network simulation of bawang ada’ (Eleutherine americana merr.) from Dayak Lundayeh in North Kalimantan tackle various viral infection targeting key protein

  • Author:
  • Viol Dhea Kharisma1,2, Priscilla Listiyani2, Ahmad Affan Ali Murtadlo2, Rizal Adistya Putra Pradana2, ANM Ansori3, Alexander Patera Nugraha4, Rollando Rollando5, Raden Joko Kuncoroningrat Susilo6, Suhailah Hayaza6, Sofya Olegovna Budagova7, Gregory Vadimovich Nadvodnyk7, Ivan Gennadievich Lebedev8, Zaira Nadirovna Khalibekova9, Igor Vladimirovich Rzhepakovsky10, Maksim Rebezov11,12, Vikash Jakhmola13, Hery Purnobasuki1, Dwi Kusuma Wahyuni1,*
  • Total Page Count: 7
  • Page Number: 1961 to 1967

1Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia

10Medical and Biological Faculty, North Caucasus Federal University, Stavropol, RussiaRussian Federation

11Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RussiaRussian Federation

12Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RussiaRussian Federation

13Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, Uttarakhand, India

2Computational Virology Research Unit Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia

3Professor Nidom Foundation, Surabaya, Indonesia

4Department of Orthodontics, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia

5Pharmacy Department Faculty of Science and Technology, Ma Chung University, Malang, Indonesia

6Department of Nanotechnology Engineering, Faculty of Advance Technology and Multidiscipline, Universitas Airlangga, Surabaya, Indonesia

7Faculty of Dentistry, Stavropol State Medical University, Stavropol, RussiaRussian Federation

8Medical and Preventive Faculty, Rostov State Medical University, Rostov-on-Don, RussiaRussian Federation

9Faculty of Medicine, Stavropol State Medical University, Stavropol, RussiaRussian Federation

*Corresponding Author E-mail: dwi-k-w@fst.unair.ac.id

Online published on 13 June, 2024.

Abstract

Viral replication inhibition strategies are needed to prevent pandemics through the latest therapeutic agent designs. A viral infection occurring over a wide area is called a pandemic. The strategy of inhibiting virus replication is used to tackle the pandemic Viruses can trigger negative regulation of apoptosis in host cells for viral survival. Apoptosis can reduce viral load and inhibit viral replication. Several types of viruses can evade the immune response through upregulation of various anti-apoptotic proteins, which allows this research to explore specific types of anti-apoptotic proteins in host cells for the design of candidate therapeutic agents.Medicinal plants from the Dayak Lundayeh tribe in North Kalimantan have potential for health, the antiviral potential of these plants has not been identified. This study aims to reveal the potential of the bioactive compounds from Bawang Ada' as antivirals with a molecular mechanism through apoptosis with an in silico approach.The in silico method used in this study consisted of ligand preparation, druglikeness analysis, pathway prediction, docking, and molecular interaction.Bawang Ada' acts as the best antiviral candidate through the activity of Erythrolaccin and Isoeleutherin compounds in inhibiting antiapoptotic proteins consisting of GSK3B and AKT1. We recommend the binding sites Val70, Leu132, Ile62, Leu188, Asp200, and Cys199 (GSK3B) and Leu210, Leu264, Tyr272, Asp292, Trp80, Lys 268, Val270, and Ser205 (AKT1) for further research as antiviral target development.

Keywords

Apoptosis Agonist, Antiviral, Bawang Ada’, Bioinformatics, Eleutherine americana