Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype Y Marrero-Ponce, D Siverio-Mota, M Gálvez-Llompart, MC Recio, ... European journal of medicinal chemistry 46 (12), 5736-5753, 2011 | 53 | 2011 |
Latest advances in molecular topology applications for drug discovery R Zanni, M Galvez-Llompart, R Garcia-Domenech, J Galvez Expert opinion on drug discovery 10 (9), 945-957, 2015 | 52 | 2015 |
Topological virtual screening: a way to find new compounds active in ulcerative colitis by inhibiting NF-κB M Gálvez-Llompart, MC Recio, R García-Domenech Molecular diversity 15, 917-926, 2011 | 52 | 2011 |
Modeling natural anti-inflammatory compounds by molecular topology M Galvez-Llompart, R Zanni, R García-Domenech International Journal of Molecular Sciences 12 (12), 9481-9503, 2011 | 44 | 2011 |
Molecular topology as a novel approach for drug discovery J Gálvez, M Gálvez-Llompart, R García-Domenech Expert opinion on drug discovery 7 (2), 133-153, 2012 | 36 | 2012 |
Application of molecular topology for the prediction of the reaction times and yields under solvent-free conditions J Gálvez, M Gálvez-Llompart, R García-Domenech Green Chemistry 12 (6), 1056-1061, 2010 | 31 | 2010 |
QSAR multi-target in drug discovery: a review. R Zanni, M Galvez-Llompart, J Galvez, R Garcia-Domenech Current computer-aided drug design 10 (2), 129-136, 2014 | 30 | 2014 |
Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW 264.7 cell lines M Galvez-Llompart, M del Carmen Recio Iglesias, J Gálvez, ... Molecular diversity 17, 573-593, 2013 | 30 | 2013 |
Drugs repurposing for coronavirus treatment: Computational study based on molecular topology J Gálvez Álvarez, R Zanni, M Gálvez-Llompart Nereis, 15-18, 2020 | 25 | 2020 |
Novel cancer chemotherapy hits by molecular topology: Dual Akt and Beta-catenin inhibitors R Zanni, M Galvez-Llompart, C Morell, N Rodriguez-Henche, ... PLoS One 10 (4), e0124244, 2015 | 23 | 2015 |
Introduction to molecular topology: basic concepts and application to drug design J Galvez, M Galvez-Llompart, R Garcia-Domenech Current Computer-Aided Drug Design 8 (3), 196-223, 2012 | 23 | 2012 |
What place does molecular topology have in today’s drug discovery? R Zanni, M Galvez-Llompart, R Garcia-Domenech, J Galvez Expert Opinion on Drug Discovery 15 (10), 1133-1144, 2020 | 21 | 2020 |
Macrolides may prevent severe acute respiratory syndrome coronavirus 2 entry into cells: A quantitative structure activity relationship study and experimental validation J Galvez, R Zanni, M Galvez-Llompart, JM Benlloch Journal of chemical information and modeling 61 (4), 2016-2025, 2021 | 20 | 2021 |
Computational screening of structure directing agents for the synthesis of zeolites. A simplified model M Gálvez-Llompart, A Cantín, F Rey, G Sastre Zeitschrift für Kristallographie-Crystalline Materials 234 (7-8), 451-460, 2019 | 20 | 2019 |
Application of molecular topology to the search of novel NSAIDs: Experimental validation of activity M Galvez-Llompart, R M Giner, M C Recio, S Candeletti, ... Letters in Drug Design & Discovery 7 (6), 438-445, 2010 | 20 | 2010 |
Biodegradability prediction of fragrant molecules by molecular topology V Blay, J Gullon-Soleto, M Galvez-Llompart, J Galvez, ... ACS Sustainable Chemistry & Engineering 4 (8), 4224-4231, 2016 | 16 | 2016 |
Modeling anti-allergic natural compounds by molecular topology R García-Domenech, R Zanni, M Galvez-Llompart, ... Combinatorial Chemistry & High Throughput Screening 16 (8), 628-635, 2013 | 16 | 2013 |
Molecular topology–dissimilar similarities J Galvez, M Galvez-Llompart, R Zanni, R Garcia-Domenech Drug Discovery Today: Technologies 10 (4), e475-e481, 2013 | 15 | 2013 |
Application of molecular topology for the prediction of reaction yields and anti-inflammatory activity of heterocyclic amidine derivatives J Pla-Franco, M Gálvez-Llompart, J Gálvez, R García-Domenech International Journal of Molecular Sciences 12 (2), 1281-1292, 2011 | 15 | 2011 |
Alzheimer: a decade of drug design. Why molecular topology can be an extra edge? R Zanni, R Garcia-Domenech, M Galvez-Llompart, J Galvez Current Neuropharmacology 16 (6), 849-864, 2018 | 14 | 2018 |