Detalhe da pesquisa
1.
The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.
Arch Toxicol
; 98(7): 2213-2229, 2024 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-38627326
2.
Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models.
Molecules
; 27(6)2022 Mar 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35335117
3.
Prediction on the mutagenicity of nitroaromatic compounds using quantum chemistry descriptors based QSAR and machine learning derived classification methods.
Ecotoxicol Environ Saf
; 186: 109822, 2019 Dec 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31634658
4.
Reductive Activity and Mechanism of Hypoxia- Targeted AGT Inhibitors: An Experimental and Theoretical Investigation.
Int J Mol Sci
; 20(24)2019 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31847200
5.
QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds.
Int J Mol Sci
; 19(10)2018 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30282923
6.
In Silico Prediction of O6-Methylguanine-DNA Methyltransferase Inhibitory Potency of Base Analogs with QSAR and Machine Learning Methods.
Molecules
; 23(11)2018 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30404161
7.
Synthesis and antitumor activity evaluation of a novel combi-nitrosourea prodrug: Designed to release a DNA cross-linking agent and an inhibitor of O(6)-alkylguanine-DNA alkyltransferase.
Bioorg Med Chem
; 24(9): 2097-107, 2016 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27041398
8.
Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
Molecules
; 21(7)2016 Jun 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-27347909
9.
Investigations on the effect of O(6)-benzylguanine on the formation of dG-dC interstrand cross-links induced by chloroethylnitrosoureas in human glioma cells using stable isotope dilution high-performance liquid chromatography electrospray ionization tandem mass spectrometry.
Chem Res Toxicol
; 27(7): 1253-62, 2014 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24914620
10.
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.
ACS Pharmacol Transl Sci
; 7(5): 1518-1532, 2024 May 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-38751635
11.
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.
J Hazard Mater
; 465: 133410, 2024 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38185092
12.
The dual role of DNA repair protein MGMT in cancer prevention and treatment.
DNA Repair (Amst)
; 123: 103449, 2023 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36680944
13.
Modulating MGMT expression through interfering with cell signaling pathways.
Biochem Pharmacol
; 215: 115726, 2023 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37524206
14.
Ecotoxicological QSAR modelling of the acute toxicity of fused and non-fused polycyclic aromatic hydrocarbons (FNFPAHs) against two aquatic organisms: Consensus modelling and comparison with ECOSAR.
Aquat Toxicol
; 255: 106393, 2023 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-36621240
15.
Ecotoxicological QSAR study of fused/non-fused polycyclic aromatic hydrocarbons (FNFPAHs): Assessment and priority ranking of the acute toxicity to Pimephales promelas by QSAR and consensus modeling methods.
Sci Total Environ
; 876: 162736, 2023 Jun 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36907405
16.
QSAR and Chemical Read-Across Analysis of 370 Potential MGMT Inactivators to Identify the Structural Features Influencing Inactivation Potency.
Pharmaceutics
; 15(8)2023 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37631385
17.
Environmental toxicity risk evaluation of nitroaromatic compounds: Machine learning driven binary/multiple classification and design of safe alternatives.
Food Chem Toxicol
; 170: 113461, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36243219
18.
2-Deoxy-D-glucose increases the sensitivity of glioblastoma cells to BCNU through the regulation of glycolysis, ROS and ERS pathways: In vitro and in vivo validation.
Biochem Pharmacol
; 199: 115029, 2022 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35381210
19.
In vivo toxicity of nitroaromatic compounds to rats: QSTR modelling and interspecies toxicity relationship with mouse.
J Hazard Mater
; 399: 122981, 2020 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32534390
20.
Metabolic Activation and Carcinogenesis of Tobacco-Specific Nitrosamine N'-Nitrosonornicotine (NNN): A Density Function Theory and Molecular Docking Study.
Int J Environ Res Public Health
; 16(2)2019 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30634532