Xerardo García Mera, ORCID 0000-0001-5218-6351
Xerardo García Mera, ORCID 0000-0001-5218-6351
Catedrático de Química Orgánica (USC)
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Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species
FJ Prado-Prado, X García-Mera, H González-Díaz
Bioorganic & medicinal chemistry 18 (6), 2225-2231, 2010
MIND-BEST: Web Server for Drugs and Target Discovery; Design, Synthesis, and Assay of MAO-B Inhibitors and Theoretical− Experimental Study of G3PDH Protein from Trichomonas …
H González-Díaz, F Prado-Prado, X García-Mera, N Alonso, P Abeijón, ...
Journal of proteome research 10 (4), 1698-1718, 2011
Synthesis and QSAR study of the anticancer activity of some novel indane carbocyclic nucleosides
SW Yao, VHC Lopes, F Fernández, X Garcıa-Mera, M Morales, ...
Bioorganic & medicinal chemistry 11 (23), 4999-5006, 2003
ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen
E Tenorio-Borroto, CGP Rivas, JCV Chagoyán, N Castañedo, ...
Bioorganic & medicinal chemistry 20 (20), 6181-6194, 2012
Discovery of 3,4-Dihydropyrimidin-2(1H)-ones As a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists
A Crespo, A El Maatougui, P Biagini, J Azuaje, A Coelho, J Brea, MI Loza, ...
ACS medicinal chemistry letters 4 (11), 1031-1036, 2013
Using entropy of drug and protein graphs to predict FDA drug-target network: theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica
F Prado-Prado, X García-Mera, P Abeijón, N Alonso, O Caamaño, ...
European journal of medicinal chemistry 46 (4), 1074-1094, 2011
Pyrimidine Derivatives as Potent and Selective A3 Adenosine Receptor Antagonists
V Yaziji, D Rodríguez, H Gutiérrez-de-Terán, A Coelho, O Caamano, ...
Journal of medicinal chemistry 54 (2), 457-471, 2011
TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1, 3-rasagiline derivatives potentially useful in neurodegenerative …
F Luan, MNDS Cordeiro, N Alonso, X García-Mera, O Caamaño, ...
Bioorganic & medicinal chemistry 21 (7), 1870-1879, 2013
2D MI-DRAGON: a new predictor for protein–ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human …
F Prado-Prado, X García-Mera, M Escobar, E Sobarzo-Sánchez, M Yañez, ...
European journal of medicinal chemistry 46 (12), 5838-5851, 2011
Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives
FJ Romero-Durán, N Alonso, M Yañez, O Caamaño, X García-Mera, ...
Neuropharmacology 103, 270-278, 2016
Model for high-throughput screening of multitarget drugs in chemical neurosciences: synthesis, assay, and theoretic study of rasagiline carbamates
N Alonso, O Caamaño, FJ Romero-Duran, F Luan, MN DS Cordeiro, ...
ACS chemical neuroscience 4 (10), 1393-1403, 2013
Studies on olefin epoxidation with t-BuOOH catalysed by dioxomolybdenum (VI) complexes of a novel chiral pyridyl alcoholate ligand
AA Valente, IS Gonçalves, AD Lopes, JE Rodríguez-Borges, M Pillinger, ...
New Journal of Chemistry 25 (7), 959-963, 2001
NL MIND-BEST: A web server for ligands and proteins discovery—Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum
H González-Díaz, F Prado-Prado, E Sobarzo-Sánchez, M Haddad, ...
Journal of theoretical biology 276 (1), 229-249, 2011
Discovery of Potent and Highly Selective A2B Adenosine Receptor Antagonist Chemotypes
A El Maatougui, J Azuaje, M Gonzalez-Gomez, G Miguez, A Crespo, ...
Journal of Medicinal Chemistry 59 (5), 1967-1983, 2016
Probing the anticancer activity of nucleoside analogues: a QSAR model approach using an internally consistent training set
A Morales Helguera, JE Rodriguez-Borges, X García-Mera, F Fernández, ...
Journal of medicinal chemistry 50 (7), 1537-1545, 2007
Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity
E Tenorio-Borroto, X Garcia-Mera, C G Penuelas-Rivas, ...
Current topics in medicinal chemistry 13 (14), 1636-1649, 2013
A short, efficient synthesis of substituted uracil: an indane carbocyclic nucleoside
F Fernandez, X García-Mera, M Morales, JE Rodríguez-Borges
Synthesis 2001 (02), 0239-0242, 2001
Model for high-throughput screening of drug immunotoxicity–study of the anti-microbial G1 over peritoneal macrophages using flow cytometry
E Tenorio-Borroto, CG Penuelas-Rivas, JC Vasquez-Chagoyan, ...
European Journal of Medicinal Chemistry 72, 206-220, 2014
3D MI-DRAGON: new model for the reconstruction of US FDA drug-target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE
F Prado-Prado, X Garcia-Mera, M Escobar, N Alonso, O Caamano, ...
Current topics in medicinal chemistry 12 (16), 1843-1865, 2012
Entropy multi-target QSAR model for prediction of antiviral drug complex networks
FJ Prado-Prado, I García, X García-Mera, H González-Díaz
Chemometrics and Intelligent Laboratory Systems 107 (2), 227-233, 2011
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