| Head : | Jorge Gálvez Alvarez | Jorge.Galvez@uv.es |
| Members : | Ramón Garcia Domenech | |
| Facundo Perez Gimenez | ||
| Francisco Garcia March | ||
| Jesús Vicente de Julian-Ortiz | ||
| Carolina de Gregorio Alapont | ||
| Collaborator : | Maria Galvez-Llompart |
| Development of a New Method for Drug Design Based Upon Molecular Topology. Its Application to Non-narcotic Analgesics |
| J. Galvez, R. Garcia-Domenech, J. Bernal and F. Garcia-March |
| An.Real Acad. Farm., 57 , 533-546 (1991) |
| Use of Molecular Connectivity in the Design of Antiviral Drugs. |
| R. Soler, M.C. Sipan, R. Garcia and J. Galvez |
| An.Real Acad. Farm., 58 , 31-47 (1991) |
| Molecular Design and Pharmacological assays on Two New Analgesic Compounds |
| R. Garcia-Domenech, F. Garcia-March, J. Galvez, G. Anton, R. Cercos, R. Soler and J.V. de Julian |
| Ars Pharmaceutica, XXXIII , 1099-1103 (1992) |
| Molecular Topology: Its Role in the Design of New Drugs. |
| R. Garcia-Domenech and J. Galvez |
| Investigación y Ciencia (Scientific American, Spanish Edition), 2 (February) , 86-87 (1993) |
| Detection and Assays of New Compounds Active Against Herpes Simplex-I Virus. |
| C. Muñoz, V. de Julian, C. Gimeno, V.Catalan and J.Galvez. |
| Rev. Esp. Quimioter., 7 (3) , 279-280 (1994) |
| Charge Indexes. New Topological Descriptors |
| J. Galvez , R. Garcia-Domenech , M. Salabert , R. Soler |
| J. Chem. Inf. Comput. Sci., 34 , 520-525 (1994) |
| Pharmacological studies of the two new hypoglycaemic ... |
| G. Anton, R. Garcia-Domenech, F. Perez, E. Peris, F. Garcia-March, M. Salabert |
| Arzneim Forsch/Drug Res, 44(II),7 , 821-826 (1994) |
| Topological Approach to Analgesia |
| J. Galvez , R. Garcia-Domenech , J.V. de Julian-Ortiz, R. Soler |
| J. Chem. Inf. Comput. Sci., 34 , 1198-1203 (1994) |
| Topological Approach to Drug Design |
| J. Galvez , R. Garcia-Domenech , J.V. de Julian-Ortiz, R. Soler |
| J. Chem. Inf. Comput. Sci., 35 , 272-284 (1995) |
| A Simple Algoritm for the Distinction of Reaction Mechanisms ... |
| J. Galvez and R. Soler |
| J. Chem. Educ., 73 , 214-216 (1996) |
| Determination of the dissociation constant... |
| R. Garcia-Domenech , J.V. de Julian-Ortiz, G.M. Anton and J. Galvez |
| J. Chem. Educ., 73 , 792-793 (1996) |
| Prediction of Chromatographic Properties for a Group of Natural... |
| F.J. Garcia-March , G.M. Anton , F. Perez-Gimenez et al |
| J. Chromatogr. A., 719 ,45-51 (1996) |
| Use of Topological Descriptors in Chromatographic Chiral Separations |
| J.V. de Julian-Ortiz , R. Garcia-Domenech, J. Galvez et al |
| J. Chromatogr. A., 719 ,37-44 (1996) |
| New Analgesics Designed by Molecular Topology |
| R. Garcia-Domenech, F.J. Garcia-March, R. Soler, J. Galvez, et al |
| Quant. Struct.-Act. Relat., 15 ,201-207 (1996) |
| New cytostatic agents obtained by molecular topology |
| J. Galvez, M.J. Gómez-Lechón, R. Garcia-Domenech and J.V. Castell |
| Bioorg & Med.Chem. Lett. , 6 ,2301-2306 (1996) |
| Pharmacological distribution diagrams: A tool for... |
| J. Galvez, R. Garcia-Domenech, C. de Gregorio, J.V. de Julian-Ortiz and L. Popa |
| J. Mol. Graphics , 14 ,272-276 (1996) |
| Molecular connectivity to find betablockers with low toxicity |
| R. Garcia-Domenech, C. de Gregorio, J.V. de Julian-Ortiz and J. Galvez |
| Bioorg & Med.Chem. Lett. , 7 ,567-572 (1997) |
| Pharmacological Studies of 1-(p-chlorophenyl)propanol and 2-(1-Hydroxy-3-butenyl)phenol: Two non-narcotic analgesics designed by Molecular Connectivity. |
| F. J. Garcia-Mach, R. Garcia-Domenech, J. Galvez, G. M. Anton, J.V. de Julian, R. Giner and M.C. Recio |
| J. Pharm. Pharmacol., 49 ,10-15 (1997) |
| New bronchodilators selected by molecular topology |
| I. Rios-Santamarina,R. Garcia-Domenech and J. Gálvez, J.Cortijo, P. Santamaria and E.Morcillo |
| Bioorg & Med.Chem. Lett. , 8 ,477-482 (1998) |
| On a topological interpretation of electronic and vibrational molecular energies |
| J. Galvez |
| J. Mol. Struc.(Theochem) ,429,255-264 (1998) |
| Antimicrobial activity characterization in a heterogeneous group of compounds |
| R. Garcia-Domenech and J.V. de Julian-Ortiz |
| J. Chem. Inf. Comput. Sci., 38(3) , 445-449 (1998) |
| New antifungals selected by molecular topology |
| L. Pastor, R. Garcia-Domenech and J. Galvez, S. Wolski and M.D. Garcia |
| Bioorg & Med.Chem. Lett. , 8 ,2577-2582 (1998) |
| Prediction of properties of chiral compounds by molecular topology |
| J.V. de Julian-Ortiz,C.de Gregorio Alapont,I. Rios-Santamarina,R. Garcia-Domenech and J. Galvez |
| J. Mol. Graph. Model. , 16(1) , 14-18 (1998) |
| Discovery of New Antimalarial Compounds by use of Molecular Connectivity Techniques |
| R. Gozalbes,J. Galvez, A. Moreno and R. Garcia-Domenech |
| J. Pharm. Pharmacol. , 51 , 111-117 (1999) |
| Molecular Search of New Active Drugs Against Toxoplasma Gondii |
| R. Gozalbes, J. Galvez, R. Garcia-Domenech and F. Derouin |
| SAR and QSAR in Environmental Research , 10 , 47-60 (1999) |
| Search for New Antihistaminic Compounds by Molecular Connectivity |
| E. Casaban Ros, G.M. Anton Fos, J. Galvez, M.J. Duart and R. Garcia-Domenech |
| Quant. Struct.-Act. Relat. , 18 , 35-42 (1999) |
| Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds |
| J.V. de Julian-Ortiz, J. Galvez, C. Muñoz, R. Garcia-Domenech and C. Gimeno |
| J. Med. Chem. , 42 , 3308-3314 (1999) |
| Application de la topologie moleculaire a la prediction de la viscosite liquide des composes organiques |
| R. Garcia-Domenech, A. Villanueva, J. Galvez et R. Gozalbes |
| J. Chim. Phys. , 96 ,1172-1185 (1999) |
| Prediction of Chromatohraphic Properties of Organophosphorus Insecticides by Molecular Connectivity |
| R. Gozalbes, J.V. de Julian-Ortiz, J. Galvez and R. Garcia-Domenech |
| Chromatographia, 51 ,331-337 (2000) |
| Use of molecular topology in the selection of new cytostatic drugs |
| J. Galvez, R. Garcia-Domenech, M.J. Gomez-Lechon and J.V. Castell |
| J. Mol. Strcu. (Theochem), 504 ,241-248 (2000) |
| Study of the Action of Flavonoids on Xanthine-Oxidase by Molecular Topology |
| A.M. Ponce, S.E. Blanco, A.S. Molina, R. Garcia-Domenech and J. Galvez |
| J. Chem. Inf. Comput. Sci., 40(4),1039-1045 (2000) |
| Indices of Differences of Path Lengths. Novel Topological Descriptors Derived from Electronic Interferences in Graphs |
| J. Galvez, R. Garcia-Domenech and C. de Gregorio-Alapont |
| J. Comput. Aided. Mol. Design ,14(7),679-687 (2000) |
| Anti-Toxoplasma Activities of 24 quinolones and Fluoroquinolones In Vitro: Prediction of Activity by Molecular Topology and Virtual Computational Techniques |
| R. Gozalbes, M. Brun-Pascaud, R. Garcia-Domenech, J. Galvez, P.M. Girard, J.P. Doucet and F. Derouin |
| Antimic. Agents and Chem. ,44(10),2771-2776 (2000) |
| Molecular Topology: A Useful Tool for the Search of New Antibacterial |
| C. de Gregorio-Alapont, R. Garcia-Domenech, J. Galvez, M.J.Ros, S. Wolski and M.D. Garcia |
| Bioorg. & Med. Chem. Letters. ,10,2033-2036 (2000) |
| Prediction of Quinolone Activity against Mycobacterium avium by Molecular Topology and Virtual Computational Screening |
| R. Gozalbes, M. Brun-Pascaud, R. Garcia-Domenech, J. Galvez, P.M. Girard, J.P. Doucet and F. Derouin |
| Antimic. Agents and Chem. ,44(10),2764-2770 (2000) |
| Getting Discriminant Functions of Antibacterial Activity from Physicochemical and Topological Parameters |
| R. Mishra, R. Garcia-Domenech and J. Galvez |
| J. Chem. Inf. Comput. Sci. ,41,387-393 (2001) |
| Some Relationships between Molecular Energy-Topology and Symmetry |
| J. Galvez,R. Garcia-Domenech and J.V. de Julian-Ortiz |
| Fundamentals of Molecular Similarity,Kuwer Academic/Plenum Publishers (Ed. R. Carbo-Dorca),11-31 (2001) |
| Optimization of a mathematical pattern for the prediction of antihistaminic activity |
| M.J. Duart, R. Garcia-Domenech, G.M. Anton-Fos and J. Galvez |
| J. Comput. Aid. Mol. Design,15,561-572 (2001) |
| Search of a Topological Pattern to Evaluate Toxicity of Heterogeneous Compounds |
| R. Garcia-Domenech, J.V. de Julian-Ortiz, M.J. Duart et al |
| SAR and QSAR in Envir. Res.,12,237-254 (2001) |
| Prediction of the Chemiluminiscent Behavior of Pharmaceuticals and Pesticides |
| L. Lahuerta, Y. Fuster, M. Duart, G.M. Anton, R.Garcia-Domenech, J. Galvez and M. Martinez |
| Anal. Chem.,73,4301-4306 (2001) |
| General topological patterns of known drugs |
| J. Galvez, R. Garcia-Domenech and J.V. de Julian-Ortiz |
| J. Mol. Graph. Model.,20 (1),84-94 (2001) |
| Use of molecular topology for the prediction
of physicochemical, pharmacokinetic and toxicological properties of a group of antihistaminic drugs |
| M.J. Duart, G.M. Antn-Fos, J.V. de Julián-Ortiz, R. Gozalbes, J. Galvez,R. Garcia-Domenech |
| International Journal of Pharmaceutics, 246 , 111-119, (2002) |
| Natural compounds with bronchodilator activity selected by molecular topology |
| I. Rios-Santamarina, R. Garcia-Domenech, J. Cortijo, P. Santamaria, E.J. Mordillo, J. Galvez. |
| Internet Electronic Journal of Molecular Design 1 , 70-79, (2002) |
| Predictiong antifungal activity: A computational screening using topological descriptors |
| R. Garcia-Domenech, A. Catala-Gregori, C. Calabuig, G.M. Anton-Fos, L. del Castillo, J. Galvez |
| Internet Electronic Journal of Molecular Design, 1 , 339-350, (2002) |
| QSAR by molecular topology of
2,4-dihydroxythiobenzanilides. A virtual screening approach to optimize the antifungal activity |
| R. Garcia-Domenech, A. I. Catala,A. Garcia-Garcia, A. Soriano, V. Perez-Modejar and J. Galvez |
| Indian Journal of Chemistry B, 41B , 2376-2384 (2002) |
| Use of Molecular Topology For the Prediction of the Sedative Effect of a Group of Antihistaminic Drugs. |
| M.J. Duart, G.M. Anton-Fos, J. Galvez and R. Garcia-Domenech, |
| Chemistry: An Indian Journal , 1 , 67-75 (2003) |
| Predicción de la tensión superficial y la conductividad térmica de disolventes orgánicos mediante la topología molecular |
| R. Garcia -Domenech, R. Muñoz-Espi, G. Roda-Fonollosa, A. Villanueva-Montesinos y J. Galvez |
| Afinidad 504 , 161-168 (2003) |
| Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology |
| J. Galvez |
| J. Chem. Inf. Comput. Sci. , 43 ,1231-1239 (2003) |
| Structural invariants for the prediction of relative toxicities of polychloro dibenzo-p-dioxins and dibenzofurans |
| J.M. Luco, J. Galvez, R.Garcia-Domenech and J.V. de Julian-Ortiz |
| Molecular Diversity , 8 ,331-342 (2004) |
| Definition of a novel atomic index for QSAR: the refractotopological state |
| R. Carrasco, J.A. Padron and J. Galvez |
| J. Pharm. Pharmaceu. Sci. , 7(1) ,19-26 (2004) |
| New Hipoglycaemic agents selected by molecular topology |
| C. Calabuig, G.M. Anton-Fos, J.Galvez and R Garcia-Domenech |
| Int. J. Pharmaceutics, ,278 ,111-118 (2004) |
| Getting new bronchodilator compounds from molecular topology |
| I. Rios-Santamarina, R. Garcia-Domenech, J. Galvez, J. Morcillo, P. Santamaria and J. Cortijo |
| Europ. J. Pharm. Sci., 22 ,271-277(2004) |
| New agents active against Mycobacterium avium complex selected by molecular topology: a virtual screening method |
| A. Garcia-Garcia, J. Galvez, J.V. DE Julian-Ortiz, R. Garcia-Domenech, C. Muñoz, R. Guna and R. Borras |
| J. Antimic. Chem., 53 ,65-73 (2004) |
| New Potential Antihistaminic Compounds.
Virtual Combinatorial Chemistry, Computational Screening. Real
Synthesis and Pharmacological Evaluation |
| M.J. Duart, G.M. Anton-Fos, P.A. Aleman, J.B. Gay-Roig, M.E. Gonzalez Rosende, J. Galvez and R. Garcia-Domenech |
| J. Med. Chem. ,48 ,1260-1264 (2005) |
| Diseño y desarrollo de nuevos fármacos contra la malaria |
| J. Galvez, J.V. Julian-Ortiz and R. Garcia-Domenech. |
| Enf. Emerg 7(1) ,44-51 (2005) |
| Search of chemical scaffolds for novel antituberculosis agents. |
| A. Garcia-Garcia, J. Galvez , J.V. Julian-Ortiz, R. Garcia- Domenech ,C. Muñoz, R. Guna & R. Borras |
| J. Biomol. Screening , 10(3) ,206-214 (2005) |
| Predictability and prediction of lowest observed adverse effect levels in a structurally heterogeneous set of chemicals. |
| J.V. de Julian-Ortiz, R. Garcia-Domenech, J. Galvez and L. Pogliani |
| SAR and QSAR Env Res 15 ,263-272 (2005) |
| In vitro activity of linezolid, clarithromycin and moxifloxacin against clinical isolates of Mycobacterium kansasii. |
| R. Guna,C. Muñoz ,V. Dominguez,A. Garcia-Garcia, J. Galvez, J.V. de Julian-Ortiz and R. Borras |
| J Antimic. Chemother. , 55 ,50-53 (2005) |
| Application of Molecular Topology to
the Prediction of Potency and Selection of Novel Insecticides Active against Malaria Vectors. |
| J. Galvez, J.V. Julian-Ortiz and R. Garcia-Domenech |
| J. Mol. Struct. (Theochem) , 727 ,107-113 (2005) |
| Assigning wave functions to graphs: A way to introduce novel topological indices. |
| J. Galvez, R. Garcia-Domenech & J.V. Julian-Ortiz |
| MATCH ,56(3) ,509-518 (2006) |
| Identification of New Antimalarial Drugs by Linear Discriminant Analysis and Topological Virtual Screening |
| N. Mahmoudi, J.V. de Julian-Ortiz, L. Ciceron, J. Galvez, D. Mazier, M. Danis, F. Derouin & R. Garcia-Domenech |
| J. Antimic. Chem ,57 ,489-497 (2006) |
| 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 |
| J. Med. Chem. ,49 ,3667-3673 (2006) |
| Computational Methods in Developing Quantitative Structure-Activity Relationships (QSAR): A Review |
| A. Dudek, T. Arodz and J. Galvez |
| Combinat. Chem & High Throughput Scren.,3 ,213-228 (2006) |
| Topological Virtual Screening and Pharmacological Test of Novel Cytostatic Drugs |
| M.T. Llacer, J. Galvez, R. Garcia-Domenech, M.J. Gomez-Lechon; C. Mas Arcas and J.V. Julian-Ortiz |
| Internet Electron. J. Mol. Des.,5 ,306-319 (2006) |
| True prediction of lowest observed adverse effect levels |
| R. García-Domenech, J.V. de Julián-Ortiz, E. Besalú |
| Molecular Diversity 10,159-168 (2006) |
| Improving the local vertex invariants in alkane graphs through a standard molecular orbital approach |
| J. Galvez and R. García-Domenech |
| Chemical Physics Letters 449, 249-254 (2007) |
| Prediction of acute toxicity of organophosphorus pesticides using topological indices |
| R. García-Domenech, P. Alarcón-Elbal, G. Bolas, R. Bueno-Marí, F.A. Chordá-Olmos, S.A. Delacour, M.C. Mouriño, A. Vidal and J. Galvez |
| SAR and QSAR in Environmental Research 18(7-8),745-755 (2007) |
| Nuevas estrategias para el diseño de antivirales |
| J. Galvez |
| Los virus y nosotros. Fundación Valenciana de Estudios Avanzados, DL: V-3751-2007 (2007) |
| A novel
quinoline,
MT477: Suppresses cell signalling through Ras molecular pathway,
inhibits PKC
activity, and demonstrates in vivo anti-tumor activity against human carcinoma cell lines |
| P. Jasinski, B. Welsh , J. Galvez, D. Land, P. Zwolak, L. Ghandi, K. Terai & A. Z. Dudek |
| Investigational New Drugs 26,223-232 (2008) |
| Some New Trends in Chemical Graph Theory |
| R. García-Domenech, J. Gálvez, J. V. de Julián-Ortiz, and L. Pogliani |
| Chemical Reviews 108,1127-1169 (2008) |
| Application of molecular topology to the prediction of the antimalarial activity of a group of uracil-based acyclic and deoxyuridine compounds |
| R. García-Domenech, W.Lopez-Peña, Y.Sanchez-Perdomo, J.R.Sanders, M.M.Sierra-Araujo, C.Zapata and J. Gálvez. |
| Int. J. Pharm 363,78-84 (2008) |
| New Active Drugs against Liver Stages of Plasmodium Predicted by Molecular Topology |
| N. Mahmoudi, R. García-Domenech, J. Galvez, K. Farhati, J.F. Franetich, R. Sauerwein, L. Hannoun, F. Derouin, M. Danis and D. Mazier. |
| Antimic. Agents and Chem. ,52(4),1215-1220 (2008) |
| Application of molecular topology for the prediction of the toxicity of organic chemicals to Chlorella vulgaris |
| R. García-Domenech, A. Villanueva and J. Galvez |
| Organic Chemistry : An Indian Journal 4 , 9-11 (2008) |
| Application of molecular topology to predict the inhibition of Trypanosoma cruzi cruzain by thiosemicarbazones |
| R. Garcia-Domenech, L. Barbosa, M. Lacarra, M. Salazar and J. Galvez |
| Internet Electronic Journal of Molecular Design 7(12), 260-272 (2008) |
| A review on molecular topology: Applying graph theory to drug discovery and design |
| J. M. Amigo, J. Galvez and, V. M. Villar |
| Naturwissenschaften. 96, 749-761 (2009) |
| Application of molecular topology to the prediction of mosquito repellents of a group of terpenoid compounds |
| R. Garcia-Domenech, J. Aguilera, A. El Moncef, S. Pocovi and J. Galvez |
| Molecular Diversity 14(2), 321-329 (2010) |
| 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 and R. Garcia-Domenech |
| Letters in Drug Design & Discovery, [BSP/LDDD/E-Pub/00064] (2010) |
| MT103 inhibits tumor growth with minimal toxicity in murine model of lung carcinoma via induction of apoptosis |
| P. Jasinski, P. Zwolak, R. Isaksson , V. Bodempudi, K. Terai, J. Galvez, D. Land and A.Z. Dudek |
| Invest New Drugs, DOI 10.1007/s10637-010-9432-4 (2010) |
| Application of molecular topology for the prediction of the reaction times and yields under solvent-free conditions |
| J. Galvez, M. Galvez-Llompart and R. García-Domenech |
| Green Chem., DOI: 10.1039/b926047a (2010) |
| On the Contribution of Molecular Topology to Drug Design and Discovery |
| J. Galvez and R. García-Domenech |
| Current Computer-Aided Drug Design, 6, 252-268 (2010) |
| Molecular topology in QSAR and drug design studies |
| J. Galvez and R. García-Domenech |
| QSPR-QSAR Studies on Desired Properties for Drug Design : ISBN: 978-81-308-0404-0. Editor: Eduardo A. Castro (2010) |
| Application of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol Pollutants | |
| J. Galvez, M. Parreño, J. Pla, J. Sanchez, M. Gálvez-Llompart, S. Navarro and R. García-Domenech | |
|
| Application of molecular topology for the prediction of reaction yields and anti-inflammatory activity of heterocyclic amidine derivatives |
| J. Pla-Franco, M. Galvez-Llompart, J. Gálvez, R. García-Domenech |
| Int. J. Mol. Sci. , 12, doi:10.3390/ijms120x000x (2011) |
Related links| A meeting on mathematical chemistry | |
Other Links| Departamento de Quimica Fisica | |
| Facultat de Farmacia | |
| Av. Vicent Andres Estelles s/n | |
| 46 100 Burjassot, VALENCIA. SPAIN | |
| Tel 34-6-354-48-91 | |
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