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In silico insights into design of novel VEGFR-2 inhibitors: SMILES-based QSAR modelling, and docking studies on substituted benzo-fused heteronuclear derivatives
This study concludes the development of a best fit QSAR model which can assist the design of new anticancer agents targeting VEGFR-2.PMID:38591137 | DOI:10.1080/1062936X.2024.2332203 (Source: SAR and QSAR in Environmental Research)
Source: SAR and QSAR in Environmental Research - April 9, 2024 Category: Environmental Health Authors: S Gupta M Kashyap Y Bansal G Bansal Source Type: research

Predictions of tissue concentrations of myclobutanil, oxyfluorfen, and pronamide in rat and human after oral exposures via GastroPlus < sup > TM < /sup > physiologically based pharmacokinetic modelling
This study addresses the absence of PBPK-type data for myclobutanil, oxyfluorfen, and pronamide by generating in vitro data for key input PBPK parameters (Caco-2 permeability, rat plasma binding, rat blood to plasma ratio, and rat liver microsomal half-life), followed by generation of PBPK models for these three chemicals via the GastroPlusTM software. Incorporating these experimental input parameters into PBPK models, the prediction accuracy of plasma AUC (area under curve) was significantly improved. Validation against rat oral administration data demonstrated substantial enhancement. Steady-state plasma concentrations (...
Source: SAR and QSAR in Environmental Research - April 8, 2024 Category: Environmental Health Authors: F Zhang T C Erskine E L McClymont L M Moore M J LeBaron D McNett S S Marty Source Type: research

Predictions of tissue concentrations of myclobutanil, oxyfluorfen, and pronamide in rat and human after oral exposures via GastroPlus < sup > TM < /sup > physiologically based pharmacokinetic modelling
This study addresses the absence of PBPK-type data for myclobutanil, oxyfluorfen, and pronamide by generating in vitro data for key input PBPK parameters (Caco-2 permeability, rat plasma binding, rat blood to plasma ratio, and rat liver microsomal half-life), followed by generation of PBPK models for these three chemicals via the GastroPlusTM software. Incorporating these experimental input parameters into PBPK models, the prediction accuracy of plasma AUC (area under curve) was significantly improved. Validation against rat oral administration data demonstrated substantial enhancement. Steady-state plasma concentrations (...
Source: SAR and QSAR in Environmental Research - April 8, 2024 Category: Environmental Health Authors: F Zhang T C Erskine E L McClymont L M Moore M J LeBaron D McNett S S Marty Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research

First report on pesticide sub-chronic and chronic toxicities against dogs using QSAR and chemical read-across
SAR QSAR Environ Res. 2024 Mar;35(3):241-263. doi: 10.1080/1062936X.2024.2320143. Epub 2024 Feb 23.ABSTRACTExcessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches a...
Source: SAR and QSAR in Environmental Research - February 23, 2024 Category: Environmental Health Authors: A Kumar P K Ojha K Roy Source Type: research