Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines
Herbicides classify as chemicals targeting specific biochemical pathways in plants and may influence human or animal health according to their chemistry, concentration, environment, biological target and others. With safety concern, International Agency for Research on Cancer (IARC) classified herbi...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Corporation of Research and Industrial Development
2023-06-01
|
| Series: | Iraqi Journal of Industrial Research |
| Subjects: | |
| Online Access: | http://ijoir.gov.iq/ijoir/index.php/jou/article/view/286 |
| _version_ | 1797804651800690688 |
|---|---|
| author | Kafa Khalaf Hammud |
| author_facet | Kafa Khalaf Hammud |
| author_sort | Kafa Khalaf Hammud |
| collection | DOAJ |
| description | Herbicides classify as chemicals targeting specific biochemical pathways in plants and may influence human or animal health according to their chemistry, concentration, environment, biological target and others. With safety concern, International Agency for Research on Cancer (IARC) classified herbicides and their metabolites as fetal developments may be a consequence of enzymatic inhibition or other mechanisms. Thirty phytotoxins were subjected to online pkCSM website, as a Quantitative Structure Activity Relationship (QSAR) prediction activity against honey bee, avian, and multiple human Leukemia, CNS, Ovarian, Prostate Cancer cell lines. Prediction outcomes were varied and influenced by chemical structure of each tested herbicide. Sulfentrazone having evidence of human non- carcinogenic character (Group E) had hepatotoxicity prediction and cancer cell lines activity less than 5 of Leukemia, CNS, Ovarian, and Prostate. Also, it had CYP1A2 inhibition, negative response of p- glycoprotein, Ames, skin sensitization, renal OCT2, and hERG. All above characters beside low intestinal absorption and Blood- Brain Barrier (BBB) presented encouraging online funding as more structurally safe having active – multiple toxicological and cellular interactions. Simetryn and Simazine that have the same core structure except (-SCH3) group replaced with chloro group gave semi identical results of many calculated characters and inactive materials to cancer cell lines and herbicide activity, honey bee and avian toxicities but not BBB, total clearance, and oral rat chronic (LOAEL) confirming structure influences upon prediction. |
| first_indexed | 2024-03-13T05:40:26Z |
| format | Article |
| id | doaj.art-376fc7a98b974093be8cf2c90fc21886 |
| institution | Directory Open Access Journal |
| issn | 2788-712X |
| language | English |
| last_indexed | 2024-03-13T05:40:26Z |
| publishDate | 2023-06-01 |
| publisher | Corporation of Research and Industrial Development |
| record_format | Article |
| series | Iraqi Journal of Industrial Research |
| spelling | doaj.art-376fc7a98b974093be8cf2c90fc218862023-06-14T03:30:38ZengCorporation of Research and Industrial DevelopmentIraqi Journal of Industrial Research2788-712X2023-06-011018811410.53523/ijoirVol10I1ID286286Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell LinesKafa Khalaf Hammud0Iraqi Atomic Energy Commission, Baghdad – IraqHerbicides classify as chemicals targeting specific biochemical pathways in plants and may influence human or animal health according to their chemistry, concentration, environment, biological target and others. With safety concern, International Agency for Research on Cancer (IARC) classified herbicides and their metabolites as fetal developments may be a consequence of enzymatic inhibition or other mechanisms. Thirty phytotoxins were subjected to online pkCSM website, as a Quantitative Structure Activity Relationship (QSAR) prediction activity against honey bee, avian, and multiple human Leukemia, CNS, Ovarian, Prostate Cancer cell lines. Prediction outcomes were varied and influenced by chemical structure of each tested herbicide. Sulfentrazone having evidence of human non- carcinogenic character (Group E) had hepatotoxicity prediction and cancer cell lines activity less than 5 of Leukemia, CNS, Ovarian, and Prostate. Also, it had CYP1A2 inhibition, negative response of p- glycoprotein, Ames, skin sensitization, renal OCT2, and hERG. All above characters beside low intestinal absorption and Blood- Brain Barrier (BBB) presented encouraging online funding as more structurally safe having active – multiple toxicological and cellular interactions. Simetryn and Simazine that have the same core structure except (-SCH3) group replaced with chloro group gave semi identical results of many calculated characters and inactive materials to cancer cell lines and herbicide activity, honey bee and avian toxicities but not BBB, total clearance, and oral rat chronic (LOAEL) confirming structure influences upon prediction.http://ijoir.gov.iq/ijoir/index.php/jou/article/view/286admetqsarleukemiacnsprostate |
| spellingShingle | Kafa Khalaf Hammud Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines Iraqi Journal of Industrial Research admet qsar leukemia cns prostate |
| title | Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines |
| title_full | Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines |
| title_fullStr | Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines |
| title_full_unstemmed | Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines |
| title_short | Activity Prediction of Various Herbicides against Honey Bee, Avian, and Multiple Human Leukemia, CNS, Ovarian, Prostate Cancer Cell Lines |
| title_sort | activity prediction of various herbicides against honey bee avian and multiple human leukemia cns ovarian prostate cancer cell lines |
| topic | admet qsar leukemia cns prostate |
| url | http://ijoir.gov.iq/ijoir/index.php/jou/article/view/286 |
| work_keys_str_mv | AT kafakhalafhammud activitypredictionofvariousherbicidesagainsthoneybeeavianandmultiplehumanleukemiacnsovarianprostatecancercelllines |