Zobrazeno 1 - 10 of 57 pro vyhledávání: '"Laurent E Dardenne"'
1
Akademický článek
A new approach for potential drug target discovery through in silico metabolic pathway analysis using Trypanosoma cruzi genome information
Autor: Marcelo Alves-Ferreira, Ana Carolina Ramos Guimarães, Priscila Vanessa da Silva Zabala Capriles, Laurent E Dardenne, Wim M Degrave
Publikováno v: Memorias do Instituto Oswaldo Cruz, Vol 104, Iss 8, Pp 1100-1110 (2009)
The current drug options for the treatment of chronic Chagas disease have not been sufficient and high hopes have been placed on the use of genomic data from the human parasite Trypanosoma cruzi to identify new drug targets and develop appropriate tr
Externí odkaz: https://doaj.org/article/b1de240fdf04406b90fb4ab6d81802c4
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2
Akademický článek
Multi-and many-objective optimization: present and future in de novo drug design
Autor: Jaqueline S. Angelo, Isabella A. Guedes, Helio J. C. Barbosa, Laurent E. Dardenne
Publikováno v: Frontiers in Chemistry, Vol 11 (2023)
de novo Drug Design (dnDD) aims to create new molecules that satisfy multiple conflicting objectives. Since several desired properties can be considered in the optimization process, dnDD is naturally categorized as a many-objective optimization probl
Externí odkaz: https://doaj.org/article/30a5c33f292841c5851bf5d826288818
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3
Akademický článek
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
Autor: Isabella A. Guedes, Felipe S. S. Pereira, Laurent E. Dardenne
Publikováno v: Frontiers in Pharmacology, Vol 9 (2018)
Structure-based virtual screening (VS) is a widely used approach that employs the knowledge of the three-dimensional structure of the target of interest in the design of new lead compounds from large-scale molecular docking experiments. Through the p
Externí odkaz: https://doaj.org/article/58601e60379e4a7cbd02ae230bc4defe
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4
Cinnamoyl-N-Acylhydrazone-Donepezil Hybrids: Synthesis and Evaluation of Novel Multifunctional Ligands Against Neurodegenerative Diseases
Autor: Caio Miranda Damasio, Letizia Pruccoli, Claudio Viegas, Isabella A. Guedes, Andrea Tarozzi, Nathalia Fonseca Nadur, Arthur Eugen Kümmerle, Luciana Luiza de Azevedo, Laurent E. Dardenne, Cindy Juliet Cristancho Ortiz
Publikováno v: Neurochemical Research. 45:3003-3020
A new series of ten multifunctional Cinnamoyl-N-acylhydrazone-donepezil hybrids was synthesized and evaluated as multifunctional ligands against neurodegenerative diseases. The molecular hybridization approach was based on the combination of 1-benzyl
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::315a821c440ab6178238d08df7f33a67
https://doi.org/10.1007/s11064-020-03148-2
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5
Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set
Autor: Laurent E. Dardenne, Karina B. Santos, Ana Luiza Martins Karl, Isabella A. Guedes
Publikováno v: Journal of Chemical Information and Modeling. 60:667-683
Protein-peptide interactions play a crucial role in many cellular and biological functions, which justify the increasing interest in the development of peptide-based drugs. However, predicting experimental binding modes and affinities in protein-pept
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a5d9055039133ba64d1ecba20b1572f
https://doi.org/10.1021/acs.jcim.9b00905
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7
Expedient Microwave-Assisted Synthesis of Bis(n)-lophine Analogues as Selective Butyrylcholinesterase Inhibitors: Cytotoxicity Evaluation and Molecular Modelling
Autor: Isabella A. Guedes, Aline Rigon Zimmer, Laurent E. Dardenne, Brunella Biscussi, Ana Julia Soares, Marco Antonio Ceschi, Thaís Carine Ruaro, Viktor Saraiva Câmara, Ana Paula Murray
Publikováno v: Journal of the Brazilian Chemical Society v.32 n.6 2021
Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química (SBQ)
instacron:SBQ
Journal of the Brazilian Chemical Society, Volume: 32, Issue: 6, Pages: 1173-1185, Published: 02 JUN 2021
In the brain of patients with chronic Alzheimer’s disease (AD), the butyrylcholinesterase (BuChE) levels rise while the acetylcholinesterase (AChE) levels decrease. Therefore, development of new selective BuChE inhibitors is of vital importance. He
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a55deba62717d1b48e725630c04a829e
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532021000601173
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8
Akademický článek
Investigation of the three-dimensional lattice HP protein folding model using a genetic algorithm
Autor: Fábio L. Custódio, Hélio J. C. Barbosa, Laurent E. Dardenne
Publikováno v: Genetics and Molecular Biology, Vol 27, Iss 4, Pp 611-615 (2004)
An approach to the hydrophobic-polar (HP) protein folding model was developed using a genetic algorithm (GA) to find the optimal structures on a 3D cubic lattice. A modification was introduced to the scoring system of the original model to improve th
Externí odkaz: https://doaj.org/article/225faecedd174377ac136dc00682e080
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9
Akademický článek
Performance and parameterization of the algorithm Simplified Generalized Simulated Annealing
Autor: Alcino Dall'Igna Júnior, Renato S. Silva, Kleber C. Mundim, Laurent E. Dardenne
Publikováno v: Genetics and Molecular Biology, Vol 27, Iss 4, Pp 616-622 (2004)
The main goal of this study is to find the most effective set of parameters for the Simplified Generalized Simulated Annealing algorithm, SGSA, when applied to distinct cost function as well as to find a possible correlation between the values of the
Externí odkaz: https://doaj.org/article/7782d385d5b243c483d19994cf8555be
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10
Computational evaluation of natural compounds as potential inhibitors of human PEPCK-M: an alternative for lung cancer therapy
Autor: Ana Carolina Ramos Guimarães, Luiz Phillippe R. Baptista, Vanessa de V. C. Sinatti, João Hermínio Martins da Silva, Laurent E. Dardenne
Publikováno v: Advances and Applications in Bioinformatics and Chemistry. 12:15-32
Background Lung cancer is the leading cause of cancer-related death worldwide. Among its subtypes, non-small cell lung cancer (NSCLC) is the most common. Recently, the mitochondrial isoform of the enzyme phosphoenolpyruvate carboxykinase (HsPEPCK-M)
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::46902cb5d810d99a26e5774c064abc7e
https://doi.org/10.2147/aabc.s197119
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