Molecular Topology and Drug Design
Research Unit

Research


Novel Cancer Chemotherapy Hits by Molecular Topology: Dual Akt and Beta- Catenin Inhibitors.
Riccardo Zanni; Maria Galvez-Llompart; Cecilia Morell; Nieves Rodríguez-Henche; Ines Diaz-Laviada; Maria Carmen Recio-Iglesias; Ramon Garcia-Domenech; Jorge Galvez
Plos One, 10(4) , e0124244 (2015)

Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2Hpyrrol- 5-one as a non-ligand binding pocket anti-androgen.
Laura Caboni; Maria Galvez-Llompart; Jorge Galvez; Fernando Blanco; Jaime Rubio-Martinez; Darren Fayne; David Lloyd
Journal of Chemical Information and Modeling, 54(10) , 2953-2966 (2014)

Molecular Topology as Novel Strategy for Discovery of Drugs with Ab Lowering and Anti-Aggregation Dual Activities for Alzheimer’s Disease.
Jun Wang; David Land; Kenjiro Ono; Jorge Galvez; Wei Zhao; Prashant Vempati; John W. Steele; Alice Cheng; Masahito Yamada; Samara Levine; Paolo Mazzola; Giulio M. Pasinetti
Plos One, 9(3) , e92750 (2014)

Advances in the molecular modeling and quantitative structure-activity relationship based design for antihistamines.
Jorge Galvez; Maria Galvez-Llompart; Riccardo Zanni; Ramon Garcia-Domenech
Expert Opinion On Drug Discovery, 8(3) , 305-317 (2013)

Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW264.7 cell lines.
Maria Galvez-Llompart; Maria del Carmen Recio Iglesias; Jorge Galvez; Ramon Garcia-Domenech
Molecular Diversity, 17 , 573-593 (2013)

QSAR methods for the discovery of new inflammatory bowel disease drugs.
Ramon Garcia-Domenech; Maria Galvez-Llompart; Riccardo Zanni; Maria C Recio; Jorge Galvez
Expert Opinion On Drug Discovery, 8(8) , 933-949 (2013)

Modeling Drug-Induced Anorexia by Molecular Topology.
Maria Galvez-Llompart; Jorge Galvez; Ramon Garcia-Domenech; Lemont B. Kier
Journal of Chemical Information and Modeling, 52 , 1337-1344 (2012)

Water Hydrophobic Zeolite Systems.
Yuryi G. Bushuev; German Sastre; Jesus V. de Julián-Ortiz; Jorge Galvez
Journal of Physical Chemistry C, 116(47) , 24916-24929 (2012)

Modeling Drug-Induced Anorexia by Molecular Topology.
Maria Galvez-Llompart; Jorge Galvez; Ramon Garcia-Domenech; Lemont B. Kier
Journal of Chemical Information and Modeling, 52 , 1337-1344 (2012)

Topological virtual screening: a way to find new compounds active in ulcerative colitis by inhibiting NF-kB
Maria Galvez-Llompart; M.C. Recio; R. Garcia-Domenech
Molecular Diversity, 15 , 917-926 (2011)

Application of molecular topology for the prediction of the reaction times and yields under solvent-free conditions.
Jorge Galvez; Maria Galvez-Llompart; Ramon García-Domenech
Green Chemistry , 12, 1056-1061 (2010)

Application of molecular topology to the prediction of mosquito repellents of a group of terpenoid compounds
Ramon Garcia-Domenech; J Aguilera; A. El Moncef; S. Pocovi; Jorge Galvez
Molecular Diversity, 14 ,321-329 (2010)

Some New Trends in Chemical Graph Theory
Ramon Garcia-Domenech; Jorge Galvez; J.V. de Julian-Ortiz; Lionello Pogliani
Chemical Reviews, 108(3) , 1127-1169 (2008)

New active drugs against liver stages of Plasmodium predicted by molecular topology.
N. Mahmoudi; R. Garcia-Domenech; J. Galvez; K. Farhati; J.F. Franetich; R. Sauerwein; L. Hannoun; F. Derouin; M. Danis; D. Mazier
Antimicrobial Agents and Chemotherapy, 52(4) , 1215-1220 (2008)

Application of a Mathematical Topological Pattern of Antihistaminic Activity for the Selection of New Drug Candidates and Pharmacology Assays.
M.J. Duart; R. Garcia-Domenech; J. Galvez; P.A. Aleman; R.V. Martin-Algarra; G.M. Anton-Fos
Journal of Medicinal Chemistry , 49 ,3667-3673 (2006)