Search Results - "Gozalbes, R."

Elucidating the aryl hydrocarbon receptor antagonism from a chemical-structural perspective by Goya-Jorge, E., Doan, T.Q., Scippo, M.L., Muller, M., Giner, R.M., Barigye, S.J., Gozalbes, R.

“…The aryl hydrocarbon receptor (AhR) plays an important role in several biological processes such as reproduction, immunity and homoeostasis. However, little is…”
Get full text

Anti-Toxoplasma Activities of 24 Quinolones and Fluoroquinolones In Vitro: Prediction of Activity by Molecular Topology and Virtual Computational Techniques by GOZALBES, Rafael, BRUN-PASCAUD, Monique, GARCIA-DOMENECH, Ramon, GALVEZ, Jorge, GIRARD, Pierre-Marie, DOUCET, Jean-Pierre, DEROUIN, Francis

“…Classifications Services AAC Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
Get full text

Synthesis of new fluoroquinolones and evaluation of their in vitro activity on Toxoplasma gondii and Plasmodium spp by Anquetin, G., Rouquayrol, M., Mahmoudi, N., Santillana-Hayat, M., Gozalbes, R., Greiner, J., Farhati, K., Derouin, F., Guedj, R., Vierling, P.

“…Graphic The synthesis of four new computer-designed fluoroquinolones which have been predicted by QSAR analysis to be active against the protozoa Toxoplasma…”
Get full text

Prediction of Quinolone Activity against Mycobacterium avium by Molecular Topology and Virtual Computational Screening by GOZALBES, Rafael, BRUN-PASCAUD, Monique, GARCIA-DOMENECH, Ramon, GALVEZ, Jorge, GIRARD, Pierre-Marie, DOUCET, Jean-Pierre, DEROUIN, Francis

“…Classifications Services AAC Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
Get full text

P03-17: Implementation of a workflow for an Integrated Testing Strategy for genotoxicity using QSAR-based tools by Vallés Pardo, J.L., MacMillan, D.S., Crespo, M., Serrano-Candelas, E., Gozalbes, R.

Get full text

Discovery of New Antimalarial Compounds by use of Molecular Connectivity Techniques by GOZALBES, R., GÁLVEZ, J., MORENO, A., GARCÍA-DOMENECH, R.

“…Molecular connectivity has been applied to the search for new compounds with antimalarial activity. Linear discriminant analysis and connectivity functions…”
Get full text

S05-02 In silico toxicology from a deep tech's perspective by Rosario, S. Perera del, Mulas, L.E. Carpio, Vallés, J.L., Palomino-Schätzlein, M., Jorge, A. Goya, Moncho, S., Serrano-Candelas, E., Gozalbes, R.

Get full text

LP-38 DockTox: a molecular docking platform for screening small molecules targeting Molecular Initiating Events (MIEs) relevant to liver, kidney and brain adverse events by Vallbona, R. Ortega, Cortés, D. Talavera, Mulas, L.E. Carpio, Colombo, E., Roncaglioni, A., Lomana, M. Garcia de, Benfenati, E., Gadaleta, D., Gozalbes, R., Candelas, E. Serrano

Get full text

Molecular Search of New Active Drugs Against Toxoplasma Gondii by Gozalbes, R., Gálvez, J., García-Domenech, R., Derouin, F.

“…Molecular connectivity has been applied to the search of new compounds with activity against the protozoan Toxoplasma gondii, using a stepwise linear…”
Get full text

Use of molecular topology for the prediction of physico-chemical, pharmacokinetic and toxicological properties of a group of antihistaminic drugs by Duart, M.J., Antón-Fos, G.M., Julian-Ortiz, J.V.de, Gozalbes, R., Gálvez, J., Garcı́a-Domenech, R.

“…We used molecular connectivity to search mathematical models for predicting physico-chemical (e.g. the partition coefficient, P), pharmacokinetic (e.g. the…”
Get full text

P06-25: Probabilistic Read-Across Assessment of 2-MCPD Leveraging Machine Learning and Qualified Data by Rathman, J., Yang, C., Benfenati, E., Diemar, M., Ghironi, S., Gozalbes, R., Hobocienski, B., Magdziarz, T., Mostrag, A., Ribeiro, J.V., Roggen, E., Roncaglioni, A., Serrano-Candelas, E., Vinken, M.

Get full text

P22-42: ONTOX Hub Meta Database paving the way for integrated use of New Approach Methodologies in Next Generation Risk Assessment (NGRA) by Mostrag-Szlichtyng, A., Hobocienski, B., Bienfait, B., Benfenati, E., Gadaleta, D., Jennen, D., Kramer, N., Luechtefeld, T., Magdziarz, T., Marusczyk, J., Paini, A., Rathman, J., Ribeiro, J., Gozalbes, R., Roggen, E., Roncaglioni, A., Schaller, S., Serrano-Candelas, E., Worth, A., Verheijen, M., Yang, C.

Get full text

Prediction of chromatographic properties of organophosphorus insecticides by molecular connectivity by GOZALBES, R, DE JULIAN-ORTIZ, J. V, ANTON-FOS, G. M, GALVEZ-ALVAREZ, J, GARCIA-DOMENECH, R

Get full text

A new split‐luciferase complementation assay identifies pentachlorophenol as an inhibitor of apoptosome formation by Tashakor, Amin, H‐Dehkordi, Mahshid, O'Connell, Enda, Gomez Ganau, Sergi, Gozalbes, Rafael, Eriksson, Leif A., Hosseinkhani, Saman, Fearnhead, Howard O.

“…The expense and time required for in vivo reproductive and developmental toxicity studies have driven the development of in vitro alternatives. Here, we used a…”
Get full text

Application of topological descriptors in QSAR and drug design: history and new trends by Gozalbes, R, Doucet, J P, Derouin, F

“…Powerful methodologies for drug design and drug database screening and selection are presently available. Studies relating the structure of molecules to a…”
Get more information

G-Protein-Coupled Receptor Affinity Prediction Based on the Use of a Profiling Dataset:  QSAR Design, Synthesis, and Experimental Validation by Rolland, Catherine, Gozalbes, Rafael, Nicolaï, Eric, Paugam, Marie-France, Coussy, Laurent, Barbosa, Frédérique, Horvath, Dragos, Revah, Frédéric

“…A QSAR model accounting for “average” G-protein-coupled receptor (GPCR) binding was built from a large set of experimental standardized binding data (1939…”
Get full text

QSAR Strategy and Experimental Validation for the Development of a GPCR Focused Library by Gozalbes, Rafael, Rolland, Catherine, Nicolaï, Eric, Paugam, Marie-France, Coussy, Laurent, Horvath, Dragos, Barbosa, Frédérique, Mao, Boryeu, Revah, Frédéric, Froloff, Nicolas

“…An innovative approach has been developed in order to construct new GPCR focused libraries. Experimental binding data generated in house from 1939 diverse drug…”
Get full text

New methodologic approaches in antimalarial molecular research by Gozalbes, R, Mahmoudi, N, Mazier, D, Danis, M, Derouin, F

“…The estimated worldwide incidence of Plasmodium falciparum malaria is about 500 million cases a year. In tropical areas, the dramatic increase of resistance to…”
Get more information