Search Results - "Morales Helguera, Aliuska"
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Biodegradation of Crystalline Cellulose Nanofibers by Means of Enzyme Immobilized-Alginate Beads and Microparticles
Published in Polymers (09-07-2020)“…Recent advances in nanocellulose technology have revealed the potential of crystalline cellulose nanofibers to reinforce materials which are useful for tissue…”
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2
Antileishmanial activity of 5-nitroindazole derivatives
Published in Therapeutic advances in infectious disease (01-01-2023)“…Background: Currently, there is no safe and effective vaccine against leishmaniasis and existing therapies are inadequate due to high toxicity, cost and…”
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3
Efficient and biologically relevant consensus strategy for Parkinson's disease gene prioritization
Published in BMC medical genomics (09-03-2016)“…The systemic information enclosed in microarray data encodes relevant clues to overcome the poorly understood combination of genetic and environmental factors…”
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4
Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients
Published in Chemometrics and intelligent laboratory systems (15-09-2007)“…We predict the soil sorption coefficients of 163 non-ionic organic pesticides performing a QSPR treatment. A pool containing 1247 theoretical descriptors is…”
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Quantitative structure activity relationships as useful tools for the design of new adenosine receptor ligands. 1. Agonist
Published in Current medicinal chemistry (01-08-2006)“…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…”
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Validation of venous thromboembolism predictive model in hematologic malignancies
Published in Annals of hematology (01-12-2023)“…Although several scores stratify venous thromboembolism (VTE) risk in solid tumors, hematologic malignancies (HM) are underrepresented. To develop an internal…”
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7
A radial-distribution-function approach for predicting rodent carcinogenicity
Published in Journal of molecular modeling (01-09-2006)“…Carcinogenic activity has been investigated using the Radial-Distribution-Function (RDF) approach. A discriminant model was developed to predict the…”
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Classifier Ensemble Based on Feature Selection and Diversity Measures for Predicting the Affinity of A2B Adenosine Receptor Antagonists
Published in Journal of chemical information and modeling (23-12-2013)“…A2B adenosine receptor antagonists may be beneficial in treating diseases like asthma, diabetes, diabetic retinopathy, and certain cancers. This has stimulated…”
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Fuzzy clustering as rational partition method for QSAR
Published in Chemometrics and intelligent laboratory systems (15-07-2017)“…Various methods are used to make the partition of data sets for QSAR development and model validation. In this work we used a fuzzy minimals partitioning and…”
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10
Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models
Published in Journal of chemical information and modeling (24-10-2011)“…There are several indices that provide an indication of different types on the performance of QSAR classification models, being the area under a Receiver…”
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11
Topological sub-structural molecular design approach: Radical scavenging activity
Published in European journal of medicinal chemistry (01-03-2012)“…In the last decades phenolic compounds have gained enormous interest because of their beneficial health effects such as anti-inflammatory, anticancer, or…”
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Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives
Published in European journal of medicinal chemistry (01-07-2011)“…DNA gyrase is a well-established antibacterial target consisting of two subunits, GyrA and GyrB, in a heterodimer A 2B 2, where GyrB catalyzes the hydrolysis…”
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13
QSAR models to predict mutagenicity of acrylates, methacrylates and α , β -unsaturated carbonyl compounds
Published in Dental materials (01-05-2010)“…Abstract Objective The purpose of this study is to develop a quantitative structure–activity relationship (QSAR) model that can distinguish mutagenic from…”
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14
Chemoinformatics Profiling of the Chromone Nucleus as a MAO-B/A2AAR Dual Binding Scaffold
Published in Current neuropharmacology (01-11-2017)“…Background: In the context of the current drug discovery efforts to find disease modifying therapies for Parkinson's disease (PD) the current single target…”
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15
Quantitative structure–activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds
Published in Bioorganic & medicinal chemistry (02-05-2005)“…[Display omitted] Inhibitory activity against aldose reductase enzyme of flavonoid derivatives were modelled using 11 kinds of molecular descriptors from…”
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QSPR modelling with the topological substructural molecular design approach: beta-cyclodextrin complexation
Published in Journal of pharmaceutical sciences (01-12-2009)“…This study aims at developing a quantitative structure-property relationship (QSPR) model for predicting complexation with beta-cyclodextrins (beta-CD) based…”
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17
Quantitative Structure−Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage
Published in Chemical research in toxicology (01-03-2008)“…Chemical carcinogenicity is of primary interest because it drives much of the current regulatory actions regarding new and existing chemicals and conventional…”
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A topological substructural molecular design approach for predicting mutagenesis end-points of α , β -unsaturated carbonyl compounds
Published in Toxicology (Amsterdam) (31-01-2010)“…Abstract Chemically reactive, α , β -unsaturated carbonyl compounds are common environmental pollutants able to produce a wide range of adverse effects,…”
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Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds Species : Rat; Sex: Male; Route of administration: Water
Published in Toxicology and applied pharmacology (01-09-2008)“…In this work, Quantitative Structure-Activity Relationship (QSAR) modelling was used as a tool for predicting the carcinogenic potency of a set of 39…”
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Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds
Published in Toxicology and applied pharmacology (01-06-2007)“…Prevention of environmentally induced cancers is a major health problem of which solutions depend on the rapid and accurate screening of potential chemical…”
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