Home Acta Virologica 2020 Acta Virologica Vol.64, No.1, p.93-99, 2020

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Founded: 1957
ISSN 0001-723X
E-ISSN 1336-2305

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Acta Virologica Vol.64, No.1, p.93-99, 2020

Title: Targeting Epstein-Barr virus nuclear antigen 1 (EBNA-1) with Murraya koengii bio-compounds: An in-silico approach
Author: V. MATHIVADANI, A. S. SMILINE GIRIJA, J. V. PRIYADHARSINI

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
Published online: 11-Mar-2020
Year: 2020, Volume: 64, Issue: 1 Page From: 93, Page To: 99
doi:10.4149/av_2020_111


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