Detalhe da pesquisa
1.
Identification of reaction sites and chlorinated products of purine bases and nucleosides during chlorination: a computational study.
Org Biomol Chem
; 22(14): 2851-2862, 2024 04 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38516867
2.
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.
J Chem Inf Model
; 64(8): 3411-3429, 2024 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38511939
3.
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
; 2024 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38627326
4.
Insights into C-C Bond Cleavage Mechanisms in Dichloroacetonitrile Formation during Chlorination of Long-Chain Primary Amines, Amino Acids, and Dipeptides.
Environ Sci Technol
; 57(47): 18834-18845, 2023 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37183372
5.
Computational Investigations of Reaction Mechanisms and Transformation Products of Olefins with Hypochlorous Acid.
J Phys Chem A
; 127(24): 5129-5139, 2023 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37303114
6.
A multi-functional hypoxia/esterase dual stimulus responsive and hyaluronic acid-based nanomicelle for targeting delivery of chloroethylnitrosouea.
J Nanobiotechnology
; 21(1): 291, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37612719
7.
Reaction Mechanisms of Histidine and Carnosine with Hypochlorous Acid Along with Chlorination Reactivity of N-Chlorinated Intermediates: A Computational Study.
Chem Res Toxicol
; 35(5): 750-759, 2022 05 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35436107
8.
Sal synthase induced cytotoxicity of PC12 cells through production of the dopamine metabolites salsolinol and N-methyl-salsolinol.
J Integr Neurosci
; 21(2): 71, 2022 Mar 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35364659
9.
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
10.
Neural tube defects: role of lithium carbonate exposure in embryonic neural development in a murine model.
Pediatr Res
; 90(1): 82-92, 2021 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33173184
11.
Chemometric QSAR modeling of acute oral toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to rat using simple 2D descriptors and interspecies toxicity modeling with mouse.
Ecotoxicol Environ Saf
; 222: 112525, 2021 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34274838
12.
Quantitative Structure-Activity Relationship (QSAR) Studies on the Toxic Effects of Nitroaromatic Compounds (NACs): A Systematic Review.
Int J Mol Sci
; 22(16)2021 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34445263
13.
Synergistic Effect between Human Papillomavirus 18 and 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone on Malignant Transformation of Immortalized SHEE Cells.
Chem Res Toxicol
; 33(2): 470-481, 2020 02 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31874558
14.
Degradation Mechanisms and Substituent Effects of N-Chloro-α-Amino Acids: A Computational Study.
Environ Sci Technol
; 54(5): 2635-2645, 2020 03 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-32033516
15.
Identification and Biological Evaluation of CK2 Allosteric Fragments through Structure-Based Virtual Screening.
Molecules
; 25(1)2020 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31935979
16.
Structure-based identification of novel CK2 inhibitors with a linear 2-propenone scaffold as anti-cancer agents.
Biochem Biophys Res Commun
; 512(2): 208-212, 2019 04 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30878184
17.
Human papillomavirus type 18 oncoproteins exert their oncogenicity in esophageal and tongue squamous cell carcinoma cell lines distinctly.
BMC Cancer
; 19(1): 1211, 2019 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31830929
18.
Correction to: Human papillomavirus type 18 oncoproteins exert their oncogenicity in esophageal and tongue squamous cell carcinoma cell lines distinctly.
BMC Cancer
; 19(1): 1255, 2019 12 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-31884950
19.
Role of polycyclic aromatic hydrocarbons as a co-factor in human papillomavirus-mediated carcinogenesis.
BMC Cancer
; 19(1): 138, 2019 Feb 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30744599
20.
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