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Journal of Clinical and Experimental Toxicology | Volume: 3
February 21-22, 2019 | Paris, France
International Conference on
Environmental Toxicology and Pharmacology
Computational chemistry strategies for Bioremediation
Leal DHS
Federal University of Espirito Santo, Brazil
B
ioremediationcanbedefinedas the fieldof knowledge related
to the use of microorganisms consortia and processes for the
degradation and detoxification of environmental contaminants.
As examples of the potential of bioremediation, we mention the
use of enzymes such as DFPase and OpdA, respectively found
in the squid Loligo vulgaris and in the bacterium Agrobacterium
radiobacter, which have been studied due to their performances
in the degradation of organophosphorus compounds (used
as agricultural defensive agents and chemical warfare agents).
Computational Chemistry, in turn, is an important branch of
Chemistry that uses computational methods to understand
and predict the behavior of molecular systems. Since 2016, the
Computational Chemistry Group from the Federal University
of Lavras (UFLA, Brazil) has been contributing to the field of
bioremediation through research papers focusing on the
enzymatic degradation of warfare agents and pesticides. By
means of a brief summary of the state-of-the-art of these two
fields of knowledge, we intend to present some contributions
from our group to the field of bioremediation and to present
some possible trends for the future of this field based on possible
molecular targets and on the literature available so far.
e:
daniel.leal@ufes.brJ Clin Exp Tox, Volume 3
DOI: 10.4066/2630-4570-C1-006