Title: Discovery of novel inhibitors targeting movement protein for controlling the transmission of banana bunchy top virus infection in plantain by structure-based virtual screening

Authors: Archana Prabahar; Subashini Swaminathan; Kalpana Raja; Srividhya Vellingiri; Ramalingam Jegadeesan; Bharathi Nathan

Addresses: Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore 641003, Tamil Nadu, India; Department of Bioinformatics, Data Mining and Text Mining Laboratory, School of Life Sciences, Bharathiar University, Coimbatore 641046, Tamil Nadu, India ' Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore 641003, Tamil Nadu, India ' Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore 641003, Tamil Nadu, India ' Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore 641003, Tamil Nadu, India ' Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore 641003, Tamil Nadu, India ' Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore 641003, Tamil Nadu, India

Abstract: Banana bunchy top virus (BBTV), the pathogen causing banana bunchy top disease (BBTD) belongs to the genus Babuvirus of the family Nanoviridae and produces significant yield loss. BBTD is the most destructive viral diseases affecting bananas worldwide causing infections that result in bunched leaves, stunted and fruitless plants. So far, there are no effective control measures for controlling and preventing this viral disease. The amino terminal region of the movement protein is responsible for cell-to-cell movement. The present study aims at inhibiting this target region by discovering novel inhibitors through virtual screening of small molecule libraries coupled with post-docking analysis of most potent inhibitors. Our study based on virtual screening of small molecule datasets determined 10 most potential inhibitors to be considered as lead compounds in controlling the spread of BBTV infection in plantain.

Keywords: amikacin; BBTD; BBTV; virtual screening.

DOI: 10.1504/IJBRA.2018.094959

International Journal of Bioinformatics Research and Applications, 2018 Vol.14 No.4, pp.305 - 320

Accepted: 19 Oct 2016
Published online: 26 Dec 2017 *

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