Environ Anal Health Toxicol.  2021 Sep;36(3):e2021020. 10.5620/eaht.2021020.

Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach

Affiliations
  • 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

Abstract

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.

Keyword

Methyl isocyanate; Escherichia coli; Toxicity; Membrane architecture; Autodock
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