Lijiao Zhao

Beijing Key Laboratory Of Environmental And Viral Oncology
Beijing, 100124, China

Last Updated: 09/26/2026

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Found 36 publications

PPAOT predictor: ARKA-RASTR strategy-driven rodent acute oral toxicity prediction for pyrazole and pyrrolidine scaffolds-based chemicals with intelligent mechanistic interpretation.

PPAOT predictor: ARKA-RASTR strategy-driven rodent acute oral toxicity prediction for pyrazole and pyrrolidine scaffolds-based chemicals with intelligent mechanistic interpretation.

Journal: Archives of toxicology

Published: April 10, 2026

From structural features to mouse acute intraperitoneal toxicity prediction: a triple computational toxicology approach for safety assessment of flavonoids.

From structural features to mouse acute intraperitoneal toxicity prediction: a triple computational toxicology approach for safety assessment of flavonoids.

Journal: Molecular diversity

Published: January 31, 2026

Shared and divergent neurotoxic mechanisms of Bisphenol A and Di(2-ethylhexyl) phthalate with implication for Alzheimer's disease: Insights from network toxicology and in vitro validation.

Shared and divergent neurotoxic mechanisms of Bisphenol A and Di(2-ethylhexyl) phthalate with implication for Alzheimer's disease: Insights from network toxicology and in vitro validation.

Journal: Toxicology and applied pharmacology

Published: September 15, 2025

Machine learning-guided Nano-QSAR modeling predicts HepaRG cell membrane toxicity of engineered nanoparticles with mechanistic insights.

Machine learning-guided Nano-QSAR modeling predicts HepaRG cell membrane toxicity of engineered nanoparticles with mechanistic insights.

Journal: Cell biology and toxicology

Published: August 29, 2025

Assessment of the rat acute oral toxicity of quinoline-based pharmaceutical scaffold molecules using QSTR, q-RASTR and machine learning methods.

Assessment of the rat acute oral toxicity of quinoline-based pharmaceutical scaffold molecules using QSTR, q-RASTR and machine learning methods.

Journal: Molecular diversity

Published: April 26, 2025

Reduction mechanism of XOR-mediated nitroaromatics hypoxia targeted AGT inhibitors: Molecular docking, MD simulation and ONIOM (QM/MM) investigation.

Reduction mechanism of XOR-mediated nitroaromatics hypoxia targeted AGT inhibitors: Molecular docking, MD simulation and ONIOM (QM/MM) investigation.

Journal: International journal of biological macromolecules

Published: February 20, 2025

Natural small molecule thymoquinone increases the chemosensitivity of glioblastoma to temozolomide through inhibiting Wnt/β-catenin signaling pathway to downregulate MGMT expression: In vitro and in vivo validation.

Natural small molecule thymoquinone increases the chemosensitivity of glioblastoma to temozolomide through inhibiting Wnt/β-catenin signaling pathway to downregulate MGMT expression: In vitro and in vivo validation.

Journal: Biochemical pharmacology

Published: January 03, 2025

Novel strategies to overcome chemoresistance in human glioblastoma.

Novel strategies to overcome chemoresistance in human glioblastoma.

Journal: Biochemical pharmacology

Published: June 30, 2024

Mechanism of AGT-Mediated Repair of dG-dC Cross-Links in the Drug Resistance to Chloroethylnitrosoureas: Molecular Docking, MD Simulation, and ONIOM (QM/MM) Investigation.

Mechanism of AGT-Mediated Repair of dG-dC Cross-Links in the Drug Resistance to Chloroethylnitrosoureas: Molecular Docking, MD Simulation, and ONIOM (QM/MM) Investigation.

Journal: Journal of chemical information and modeling

Published: March 21, 2024

Energy Blocker Lonidamine Reverses Nimustine Resistance in Human Glioblastoma Cells through Energy Blockade, Redox Homeostasis Disruption, and O6-Methylguanine-DNA Methyltransferase Downregulation: In Vitro and In Vivo Validation.

Energy Blocker Lonidamine Reverses Nimustine Resistance in Human Glioblastoma Cells through Energy Blockade, Redox Homeostasis Disruption, and O6-Methylguanine-DNA Methyltransferase Downregulation: In Vitro and In Vivo Validation.

Journal: ACS pharmacology & translational science

Published: February 15, 2024

The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.

The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.

Journal: Archives of toxicology

Published: February 05, 2024

Prioritization of the ecotoxicological hazard of PAHs towards aquatic species spanning three trophic levels using 2D-QSTR, read-across and machine learning-driven modelling approaches.

Prioritization of the ecotoxicological hazard of PAHs towards aquatic species spanning three trophic levels using 2D-QSTR, read-across and machine learning-driven modelling approaches.

Journal: Journal of hazardous materials

Published: November 19, 2023

Showing 1-12 of 36

Last Updated: 09/26/2026