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Environ Anal Health Toxicol > Volume 36:2021 > Article
Environmental Analysis Health and Toxicology 2021;36(3):e2021020-0. doi: https://doi.org/10.5620/eaht.2021020
Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach
Pushpendra Singh1,2 , Manish Kumar Tripathi1,3 , Mohammad Yasir1, Ashish Ranjan1, Rahul Shrivastava1
1Department of Biological Science & Engineering, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 India
2State Virus Research and Diagnostic Laboratory, Department of Microbiology, All India Institute of Medical Sciences, Raipur, Chhattisgarh 492099 India
3Department of Biophysics, All India Institute of Medical Sciences, New Delhi-110029, India
Corresponding Author: Rahul Shrivastava ,Email: shrivastavarm1972@gmail.com
Received: April 17, 2021;  Accepted: August 10, 2021.
Methyl isocyanate (MIC), a low molecular weight synthetic aliphatic compound, having an isocyanate group (−NCO), has industrial application. In this study, the effects of methyl isocyanate and its mechanism on outer membrane protein of Escherichia coli were observed using experimental and computational methods. In vitro exposure of N-succinimidyl N-methylcarbamate (NSNM) a synthetic analogue of MIC on E. coli to a final concentration of 2 mM was found to affect the growth curve pattern and changes in cell morphology. Molecular docking studies of MIC and NSNM with E. coli outer membrane protein (OmpW, OmpX, OmpF OmpA), and periplasmic domain (PAL) were performed. The in-silico results revealed that outer membrane protein OmpF showed the highest negative binding energy, i.e. ∆G -4.11 kcal/mole and ∆G -3.19 kcal/mole by NSNM and MIC as compared to other proteins. Our study concludes that methyl isocyanate retains lethal toxicity which leads to cell death due to the membrane protein damage of E. coli membrane.
Keywords: Methyl isocyanate, Escherichia coli, Toxicity, Membrane architecture, Autodock
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