Distribution of toxicity values across different species and modes of action of pesticides from PESTIMEP and PPDB databases
Por:
Madariaga-Mazon, Abraham, Osnaya-Hernandez, Adriana, Chavez-Gomez, Arni, García-Ramos J.C., Cortes-Guzman, Fernando, Castillo-Pazos D.J., Martinez-Mayorga, Karina
Publicada:
1 mar 2019
Resumen:
The continuous use of compounds contained in commodities such as
processed food, medicines, and pesticides, demands safety measures, in
particular, for those in direct contact with humans and the environment.
Safety measures have evolved and regulations are now in place around the
globe. In the case of pesticides, attempts have been made to use
toxicological data to inform of potentially harmful compounds either
across species, on different routes of exposure, or entirely new
chemicals. The generation of models, based on statistical and molecular
modeling studies, allows for such predictions. However, the use of these
models is framed by the available data, the experimental errors, the
complexity of the measurement, and the available computational
algorithms, among other factors. In this work, we present the
methodologies used for extrapolation across different species and routes
of administration and show the appropriateness of developing predictive
models of pesticides based on their type and mode of action. The
analyses include comparisons based on structural characteristics and
physicochemical properties. Whenever possible, the scope and limitations
of the methodologies are discussed. We expect that this work will serve
as a useful introductory guide of the tools employed in the toxicity
assessment of agrochemical compounds.
Filiaciones:
Madariaga-Mazon, Abraham:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
Osnaya-Hernandez, Adriana:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
Chavez-Gomez, Arni:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
García-Ramos J.C.:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
CONACYT-UNAM-Centro de Nanociencias Y Nanotecnología, Km 107 Carretera, Tijuana-Ensenada, BC, Mexico
Cortes-Guzman, Fernando:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
Castillo-Pazos D.J.:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
Martinez-Mayorga, Karina:
Instituto de Química, Universidad Nacional Autónoma de México, Mexico City, Mexico
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
UNAM, CONACYT, Ctr Nanociencias & Nanotecnol, Km 107 Carretera Tijuana, Ensenada, Baja California, Mexico
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