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OJBTM
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.
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