Detalhe da pesquisa
1.
Pnictogen bond-driven control of the molecular interaction between organophosphorus and acetylcholinesterase enzyme.
J Comput Chem
; 45(15): 1303-1315, 2024 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38363124
2.
Intermolecular Covalent Interactions: Nature and Directionality.
Chemistry
; 29(14): e202203791, 2023 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36478415
3.
Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study.
J Comput Chem
; 42(10): 688-698, 2021 Apr 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33543482
4.
The pnictogen bond: a quantitative molecular orbital picture.
Phys Chem Chem Phys
; 23(25): 13842-13852, 2021 Jun 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-34155488
5.
Cathepsin K inhibitors based on 2-amino-1,3,4-oxadiazole derivatives.
Bioorg Chem
; 109: 104662, 2021 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33626452
6.
Hybrid Materials Based on Magnetic Iron Oxides with Benzothiazole Derivatives: A Plausible Potential Spectroscopy Probe.
Int J Mol Sci
; 22(8)2021 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33921510
7.
Experimental and theoretical affinity and catalysis studies between halogenated phenols and peroxidases: Understanding the bioremediation potential.
Ecotoxicol Environ Saf
; 202: 110895, 2020 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32615496
8.
Understanding the Interaction Modes and Reactivity of Trimedoxime toward MmAChE Inhibited by Nerve Agents: Theoretical and Experimental Aspects.
Int J Mol Sci
; 21(18)2020 Sep 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32899591
9.
Δ-FeOOH as Support for Immobilization Peroxidase: Optimization via a Chemometric Approach.
Molecules
; 25(2)2020 Jan 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31936386
10.
Molecular interactions between p-coumaric acid and snake venom toxins.
J Cell Biochem
; 120(9): 14594-14603, 2019 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-31016790
11.
Antiureolytic Activity of Substituted 2,5-Diaminobenzoquinones.
Chem Biodivers
; 16(12): e1900503, 2019 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-31660678
12.
Recent Developments in Metal-Based Drugs and Chelating Agents for Neurodegenerative Diseases Treatments.
Int J Mol Sci
; 20(8)2019 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31013856
13.
First Attempts of the Use of 195Pt NMR of Phenylbenzothiazole Complexes as Spectroscopic Technique for the Cancer Diagnosis.
Molecules
; 24(21)2019 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31684009
14.
Future Therapeutic Perspectives into the Alzheimer's Disease Targeting the Oxidative Stress Hypothesis.
Molecules
; 24(23)2019 Dec 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31816853
15.
Influence of auxochrome group in disperse dyes bearing azo groups as chromophore center in the biotransformation and molecular docking prediction by reductase enzyme: Implications and assessment for environmental toxicity of xenobiotics.
Ecotoxicol Environ Saf
; 160: 114-126, 2018 Sep 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-29793200
16.
Probing long-range spin-spin coupling constants in 2-halo-substituted cyclohexanones and cyclohexanethiones: The role of solvent and stereoelectronic effects.
Magn Reson Chem
; 56(9): 810-816, 2018 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29667226
17.
Soybean peroxidase immobilized on δ-FeOOH as new magnetically recyclable biocatalyst for removal of ferulic acid.
Bioprocess Biosyst Eng
; 41(1): 97-106, 2018 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-28986654
18.
Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication.
Int J Mol Sci
; 19(4)2018 Apr 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-29690585
19.
Toward the Classical Description of Halogen Bonds: A Quantum Based Generalized Empirical Potential for Fluorine, Chlorine, and Bromine.
J Phys Chem A
; 121(12): 2442-2451, 2017 Mar 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-28290699
20.
Value of NMR Parameters and DFT Calculations for Quantum Information Processing Utilizing Phosphorus Heterocycles.
J Phys Chem A
; 121(23): 4486-4495, 2017 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28441482