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Online Journal of Bioinformatics

Volume 22 (2): 111-121, 2021.

In silico docking analysis of betaine aldehyde dehydrogenase2 with pesticides in scented Basmati Rice.


Gurpreet Singh


Department of Biotechnology, Lyallpur Khalsa College, GT Road, Jalandhar 144001, Punjab (India)




Singh G., In silico docking analysis of betaine aldehyde dehydrogenase2 with pesticides in scented Basmati Rice, Onl J Bioinform., 22 (2): 111-121, 2021. Aroma in basmati rice is due to volatile 2-acetyl-1-pyrroline (2AP) regulated by betaine aldehyde dehydrogenase2 (BADH2) protein. The effect of pesticides on basmati rice aroma and flavour has not been reported. Author describes In silico molecular docking of fragrance protein BADH2 with pesticides using AutoDock, Pymol and Discovery studio visualizer. Results show that insecticides and fungicides interact with amino acid residues of key domains of BADH2 protein by hydrogen bonding and Van der Waal interactions to form a cavity around the protein suggesting that these agrochemicals could affect metabolic pathway of flavour development in rice by binding.


Key-words: Scented Basmati Rice, agrochemicals, Betaine Aldehyde Dehydrogenase 2 (BADH2 protein), 2-Acetyl-1-Pyrroline (2AP), Molecular Docking, Bioinformatics tools.