Targeting Epstein-Barr virus nuclear antigen 1 (EBNA-1) with Murraya koengii bio-compounds: An in-silico approach

Acta Virol. 2020;64(1):93-99. doi: 10.4149/av_2020_111.

Abstract

Epstein-Barr virus (EBV), a B lymphotrophic herpesvirus associated with various forms of tumors, exhibits several latency phases with expressed EBV nuclear antigen 1 (EBNA-1). In the search of novel EBV-inhibiting targets, to curb the menace of EBV-borne lymphotropic transformations, EBNA-1 protein might serve as a best target for novel antiviral natural compounds. This study is thus aimed to explore the inhibitory potential of Muuraya koengii bioactive compounds isomahanine, murrayanol and mahanimbine against the EBNA-1 of EBV. 3D structure of EBNA-1 was retrieved from the PDB data bank with further optimization of both the protein and ligands. In-silico inhibitory potential of the selected M. koengii bio-compounds against EBNA-1 as well as the molecular properties of the derivatives against EBNA-1 were assessed. Murrayanol seems to be a potent inhibitory drug to target EBNA-1 with a promising binding energy of -7.21 with two hydrogen bonds. Drug likeliness parameters recorded murrayanol to be the most promising of the tested compounds, followed by isomahanine. Molecular docking evaluations show that EBNA-1 might be inhibited with M. koengii biocompounds. Keywords: EBV; EBNA; M. koengii; in-silico.

MeSH terms

  • Antiviral Agents / chemistry*
  • Epstein-Barr Virus Nuclear Antigens / chemistry*
  • Herpesvirus 4, Human
  • Molecular Docking Simulation
  • Murraya / chemistry*
  • Phytochemicals / chemistry*

Substances

  • Antiviral Agents
  • Epstein-Barr Virus Nuclear Antigens
  • Phytochemicals
  • EBV-encoded nuclear antigen 1