Detalhe da pesquisa
1.
A mechanistic insight for the biosynthesis of N,N-dimethyltryptamine: An ONIOM theoretical approach.
Biochem Biophys Res Commun
; 678: 148-157, 2023 10 20.
Artigo
Inglês
| MEDLINE | ID: mdl-37640000
2.
Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product.
Phys Chem Chem Phys
; 24(8): 5052-5069, 2022 Feb 23.
Artigo
Inglês
| MEDLINE | ID: mdl-35144275
3.
In silico study of the potential interactions of 4'-acetamidechalcones with protein targets in SARS-CoV-2.
Biochem Biophys Res Commun
; 537: 71-77, 2021 01 22.
Artigo
Inglês
| MEDLINE | ID: mdl-33387885
4.
Chitosan-magnetite nanocomposite as a sensing platform to bendiocarb determination.
Anal Bioanal Chem
; 410(27): 7229-7238, 2018 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-30151686
5.
The effect of water on the physicochemical properties of an ethylene glycol and choline chloride mixture containing Cu2+ ions: electrochemical results and dynamic molecular simulation approach.
Phys Chem Chem Phys
; 20(14): 9321-9327, 2018 Apr 04.
Artigo
Inglês
| MEDLINE | ID: mdl-29564421
6.
Morphological dependence of silver electrodeposits investigated by changing the ionic liquid solvent and the deposition parameters.
Phys Chem Chem Phys
; 18(10): 7242-50, 2016 Mar 14.
Artigo
Inglês
| MEDLINE | ID: mdl-26891224
7.
Diclofenac on boron-doped diamond electrode: from electroanalytical determination to prediction of the electrooxidation mechanism with HPLC-ESI/HRMS and computational simulations.
Langmuir
; 30(19): 5645-54, 2014 May 20.
Artigo
Inglês
| MEDLINE | ID: mdl-24806390
8.
Optical absorption of the antitrypanocidal drug benznidazole in water.
Molecules
; 19(4): 4145-56, 2014 Apr 02.
Artigo
Inglês
| MEDLINE | ID: mdl-24699154
9.
Analysis of temperature effect in the CO2 absorption using a deep eutectic solvent: An in silico approach.
J Mol Graph Model
; 126: 108649, 2024 01.
Artigo
Inglês
| MEDLINE | ID: mdl-37820463
10.
Structure and Ligand Based Virtual Screening and MPO Topological Analysis of Triazolo Thiadiazepine-fused Coumarin Derivatives as Anti-Parkinson Drug Candidates.
Mol Biotechnol
; 2024 Jun 04.
Artigo
Inglês
| MEDLINE | ID: mdl-38834896
11.
Insights of potential trypanocidal effect of the synthetic derivative (2E)-1-(4-aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one: in vitro assay, MEV analysis, quantum study, molecular docking, molecular dynamics, MPO analysis, and predictive ADMET.
Naunyn Schmiedebergs Arch Pharmacol
; 2024 May 09.
Artigo
Inglês
| MEDLINE | ID: mdl-38722342
12.
De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico.
3 Biotech
; 13(9): 301, 2023 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-37588795
13.
The search for new efficient inhibitors of SARS-COV-2 through the De novo drug design developed by artificial intelligence.
J Biomol Struct Dyn
; 41(19): 9890-9906, 2023 11.
Artigo
Inglês
| MEDLINE | ID: mdl-36420665
14.
Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations.
J Mol Model
; 29(5): 165, 2023 Apr 29.
Artigo
Inglês
| MEDLINE | ID: mdl-37117952
15.
Antioxidant activity of eugenol and its acetyl and nitroderivatives: the role of quinone intermediates-a DFT approach of DPPH test.
J Mol Model
; 28(5): 133, 2022 Apr 30.
Artigo
Inglês
| MEDLINE | ID: mdl-35501616
16.
(Bio)Sensing Strategies Based on Ionic Liquid-Functionalized Carbon Nanocomposites for Pharmaceuticals: Towards Greener Electrochemical Tools.
Nanomaterials (Basel)
; 12(14)2022 Jul 11.
Artigo
Inglês
| MEDLINE | ID: mdl-35889592
17.
Electrochemical and theoretical investigation on the behavior of the Co2+ ion in three eutectic solvents.
J Mol Graph Model
; 112: 108137, 2022 05.
Artigo
Inglês
| MEDLINE | ID: mdl-35078117
18.
Antiproliferative activity on Trypanosoma cruzi (Y strain) of the triterpene 3ß,6ß,16ß-trihidroxilup-20 (29)-ene isolated from Combretum leprosum.
J Biomol Struct Dyn
; 40(22): 12302-12315, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-34436980
19.
Square-wave adsorptive voltammetry of dexamethasone: redox mechanism, kinetic properties, and electroanalytical determinations in multicomponent formulations.
Anal Biochem
; 413(2): 148-56, 2011 Jun 15.
Artigo
Inglês
| MEDLINE | ID: mdl-21356193
20.
Electrochemical sensor based on multi-walled carbon nanotubes for imidacloprid determination.
Anal Methods
; 13(18): 2124-2136, 2021 05 13.
Artigo
Inglês
| MEDLINE | ID: mdl-33876058