In silico taste-toxicological study of chlorfenvinphos, dichlofluanid, fonofos, or methacrifos partial degradation products
Author
al-Ubaydi, Kafa Khalaf Hammud Muhammad
Source
Iraqi Journal of Industrial Research
Issue
Vol. 8, Issue 3 (31 Dec. 2021), pp.127-135, 9 p.
Publisher
Ministry of Industry and Minerals Corporation of Research and Industrial Development
Publication Date
2021-12-31
Country of Publication
Iraq
No. of Pages
9
Main Subjects
Topics
Abstract EN
Toxicity is important factor to human and environment and can be tested in lab and by computerized models.
ProTox-II is in Silico method to assess safety of chemicals to minimize risk health threating to human and other living organisms in nature.
Taste of material is another character can be calculated in Silico model like virtualtaste.
Here, first attempt of using two computerized methods and hypothetical partial degradation products of four toxics materials used to control agricultural productivity was carried out to predicate taste and toxicity characters.
LD50, Toxicity Class, organ and end point toxicities, Tox21-Nuclear receptor signaling and stress response pathways of Chlorfenvinphos, Dichlofluanid, Fonofos, and Methacrifos with their hypothetical degradation products were calculated.
Hypothetical degradation products were a results of (C-C, C-O, C-N, C-S, C-P, P-O, P-S, or N-S) bond breakage.
The hypothesized degradation chemicals showed that most of them were with sour taste and their toxicity were less class compared to the parent compound but not to non-toxic material (Class 6, LD50 more than 5000 mg/kg).
Also, they were structurally toxics and could be interact with molecular cellular target resulting than parent compound if they presented in required Toxicity is important factor to human and environment and can be tested in lab and by computerized models.
ProTox-II is in Silico method to assess safety of chemicals to minimize risk health threating to human and other living organisms in nature.
Taste of material is another character can be calculated in Silico model like virtualtaste.
Here, first attempt of using two computerized methods and hypothetical partial degradation products of four toxics materials used to control agricultural productivity was carried out to predicate taste and toxicity characters.
LD50, Toxicity Class, organ and end point toxicities, Tox21-Nuclear receptor signaling and stress response pathways of Chlorfenvinphos, Dichlofluanid, Fonofos, and Methacrifos with their hypothetical degradation products were calculated.
Hypothetical degradation products were a results of (C-C, C-O, C-N, C-S, C-P, P-O, P-S, or N-S) bond breakage.
The hypothesized degradation chemicals showed that most of them were with sour taste and their toxicity were less class compared to the parent compound but not to non-toxic material (Class 6, LD50 more than 5000 mg/kg).
Also, they were structurally toxics and could be interact with molecular cellular target resulting than parent compound if they presented in required concentration.
American Psychological Association (APA)
al-Ubaydi, Kafa Khalaf Hammud Muhammad. 2021. In silico taste-toxicological study of chlorfenvinphos, dichlofluanid, fonofos, or methacrifos partial degradation products. Iraqi Journal of Industrial Research،Vol. 8, no. 3, pp.127-135.
https://search.emarefa.net/detail/BIM-1366650
Modern Language Association (MLA)
al-Ubaydi, Kafa Khalaf Hammud Muhammad. In silico taste-toxicological study of chlorfenvinphos, dichlofluanid, fonofos, or methacrifos partial degradation products. Iraqi Journal of Industrial Research Vol. 8, no. 3 (2021), pp.127-135.
https://search.emarefa.net/detail/BIM-1366650
American Medical Association (AMA)
al-Ubaydi, Kafa Khalaf Hammud Muhammad. In silico taste-toxicological study of chlorfenvinphos, dichlofluanid, fonofos, or methacrifos partial degradation products. Iraqi Journal of Industrial Research. 2021. Vol. 8, no. 3, pp.127-135.
https://search.emarefa.net/detail/BIM-1366650
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 134-136
Record ID
BIM-1366650