Search Results - "Pérez González, Maykel"

2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma by Saíz-Urra, Liane, Pérez González, Maykel, Teijeira, Marta

“…A QSAR study was developed, employing the 2D-autocorrelation descriptors and a set of 37 naphthoquinone ester derivatives, in order to model the cytotoxicity…”
Get full text

Applications of 2D descriptors in drug design: a DRAGON tale by Helguera, Aliuska Morales, Combes, Robert D, González, Maykel Pérez, Cordeiro, M Natália D S

“…In order to minimize expensive drug failures, is essential to determine potential activity, toxicity and ADME problems as early as possible. In view of the…”
Get more information

QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection by Saíz-Urra, Liane, González, Maykel Pérez, Teijeira, Marta

“…A QSAR study was developed employing the 3D-MoRSE descriptors and a set of benzophenazines in order to model, the inhibition of the topoisomerases I and II,…”
Get full text

Radial Distribution Function descriptors for predicting affinity for vitamin D receptor by González, Maykel Pérez, Gándara, Zoila, Fall, Yagamare, Gómez, Generosa

“…The QSAR is an alternative method for the research of new and better Vitamin D analogues with affinity for the VDR receptor. This paper describes the results…”
Get full text

Quantitative structure activity relationships as useful tools for the design of new adenosine receptor ligands. 1. Agonist by González, Maykel Pérez, Terán, Carmen, Teijeira, Marta, Helguera, Aliuska Morales

“…In order to minimize expensive drug failures it is essential to determine the potential biological activity of new candidates as early as possible. In view of…”
Get more information

Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity by Pérez-Garrido, Alfonso, González, Maykel Pérez, Escudero, Amalio Garrido

“…The risk of the presence of haloacetic acids in drinking water as chlorination by-products and the shortage of experimental mutagenicity data for most of them…”
Get full text

A topological substructural approach applied to the computational prediction of rodent carcinogenicity by Helguera, Aliuska Morales, Cabrera Pérez, Miguel Angel, González, Maykel Pérez, Ruiz, Reinaldo Molina, González Díaz, Humberto

“…The rodent carcinogenic activity was investigated by using a topological substructural molecular design approach (TOPS-MODE). The in silico model obtained…”
Get full text

Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients by Duchowicz, Pablo R., González, Maykel Pérez, Helguera, Aliuska Morales, Natália Dias Soeiro Cordeiro, Maria, Castro, Eduardo A.

“…We predict the soil sorption coefficients of 163 non-ionic organic pesticides performing a QSPR treatment. A pool containing 1247 theoretical descriptors is…”
Get full text

Geometry, topology, and atom-weights assembly descriptors to predicting A1 adenosine receptors agonists by González, Maykel Pérez, Terán, Carmen, Teijeira, Marta, Besada, Pedro

“…The GETAWAY approach has been applied to the study of the A1 adenosine receptor agonist effect with excellent results. Five different approaches failed to give…”
Get full text

A TOPS-MODE approach to predict adenosine kinase inhibition by González, Maykel Pérez, Moldes, Maria del Carmen Terán

“…The TOPological Sub-Structural Molecular Design (TOPS-MODE) approach has been applied to the study of the adenosine kinase inhibitory activity of pyrrolo[2,3-…”
Get full text

A TOPS-MODE approach to predict affinity for A1 adenosine receptors. 2-(Arylamino)adenosine analogues by GONZALEZ, Maykel Pérez, DEL CARMEN TERAN MOLDES, Maria

“…The TOPological Sub-Structural Molecular Design (TOPS-MODE) approach has been applied to the study of the affinity of A(1) adenosine receptor of different…”
Get full text

A topological sub-structural approach to the mutagenic activity in dental monomers. 2. Cycloaliphatic epoxides by González, Maykel Pérez, Dias, Luiz Carlos, Helguera, Aliuska Morales

“…The topological sub-structural molecular design (TOPS-MODE) approach has been introduced for the study of mutagenic properties. The mutagenicity of 15 dental…”
Get full text

Variable selection methods in QSAR: an overview by González, Maykel Pérez, Terán, Carmen, Saíz-Urra, Liane, Teijeira, Marta

“…Variable selection is a procedure used to select the most important features to obtain as much information as possible from a reduced amount of features. The…”
Get more information

A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis by González, Maykel Pérez, Dı́az, Humberto González, Cabrera, Miguel Angel, Ruiz, Reinaldo Molina

“…The TOPological Substructural MOlecular DEsign (TOPS-MODE) has been successfully used in order to explain the toxicity in the Tetrahymena pyriformis on a large…”
Get full text

Quantitative structure–activity relationship studies of HIV-1 integrase inhibition. 1. GETAWAY descriptors by Saíz-Urra, Liane, González, Maykel Pérez, Fall, Yagamare, Gómez, Generosa

“…The GEometry, Topology, and Atom-Weights AssemblY (GETAWAY) approach has been applied to the study of the HIV-1 integrase inhibition of 172 compounds that…”
Get full text

Search for new antagonist ligands for adenosine receptors from QSAR point of view. How close are we? by González, Maykel Pérez, Terán, Carmen, Teijeira, Marta

“…In view of the large libraries of nucleoside analogues that are now being handled in organic synthesis, the identification of drug biological activity is…”
Get full text

Modeling of farnesyltransferase inhibition by some thiol and non-thiol peptidomimetic inhibitors using genetic neural networks and RDF approaches by GONZALEZ, Maykel Pérez, CABALLERO, Julio, TUNDIDOR-CAMBA, Alain, HELGUERA, Aliuska Morales, FERNANDEZ, Michael

“…Inhibition of farnesyltransferase (FT) enzyme by a set of 78 thiol and non-thiol peptidomimetic inhibitors was successfully modeled by a genetic neural network…”
Get full text

Stochastic-based descriptors studying peptides biological properties: modeling the bitter tasting threshold of dipeptides by Ramos de Armas, Ronal, González Díaz, Humberto, Molina, Reinaldo, Pérez González, Maykel, Uriarte, Eugenio

“…[Display omitted] MARCH-INSIDE methodology was applied to the prediction of the bitter tasting threshold of 48 dipeptides by means of pattern recognition…”
Get full text

Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds Species : Rat; Sex: Male; Route of administration: Water by MORALES HELGUERA, Aliuska, CORDEIRO, M. Natalia D. S, CABRERA PEREZ, Miguel Angel, COMBES, Robert D, PEREZ GONZALEZ, Maykel

“…In this work, Quantitative Structure-Activity Relationship (QSAR) modelling was used as a tool for predicting the carcinogenic potency of a set of 39…”
Get full text

In silico studies using radial distribution function approach for predicting affinity of 1α,25-dihydroxyvitamin D3 analogues for Vitamin D receptor by GONZALEZ, Maykel Pérez, PUENTE, Miguel, FALL, Yagamare, GOMEZ, Generosa

Get full text