ISSN: 0973-7510

E-ISSN: 2581-690X

Research Article | Open Access
Shwetha Subbanna1, Kanthesh M Basalingappa1 , M.S. Maheshwari1, H.B. Gururaj2 and T.S. Gopenath3
1Division of Molecular Biology, School of Life Sciences, JSS AHER, SS Nagar, Mysuru – 570 015, Karnataka, India.
2E2E Biotech Private Limited, AIC-Jyothy Institute of Technology, Bengaluru – 560082, Karnataka, India.
3Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS AHER, SS Nagar, Mysuru – 570 015, Karnataka, India.
J Pure Appl Microbiol. 2022;16(1):327-336 | Article Number: 7429 | © The Author(s). 2022
Received: 12/11/2021 | Accepted: 04/01/2022 | Published online: 05/02/2022
Issue online: March 2022

Allium sativum commonly known as Garlic is a familiar herb, highly studied for its valuable medicinal properties. The main objective involved in the current research is to analyze inhibitor and antibacterial action of bioactive compounds (ligands) present in the methanolic extract of Allium sativum bulbs against phytopathogen protein (receptor) through molecular docking. The effector protein AvrRps4 (4B6X) from phytopathogen Pseudomonas syringae pv. pisi, a protein responsible for Effector triggered immunity (ETI) activation and to subvert host responses in Pea plant was selected as protein target. The docking interactions between opted ligands and target protein, with ampicillin as control was done using PyRx software tool and analysed using Discovery studio 3.1 Visualiser. The outcomes obtained from in silico analysis suggested that the bioactive compound namely Diethyl 3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2,4-dicarboxylate bind effectively showing -5.7 binding energy value in comparison with antibiotic ampicillin which showed binding energy -5.8 value. This research study concluded that the bioactive compounds from methanolic extract of Allium sativum bulbs displayed a potential inhibitory activity against effector AvrRps4 protein exhibiting antibacterial properties and may be considered as possible substantial lead molecules in future prospects.


Antibacterial, Bioactive compounds, Allium sativum, Molecular docking, Effector AvrRps4 protein

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© The Author(s) 2022. Open Access. This article is distributed under the terms of the Creative Commons Attribution 4.0 International License which permits unrestricted use, sharing, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.