Pharmacophore model for antiepileptic drugs acting on sodium channels

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Fifteen antiepileptic drugs (AED), active against the maximal electroshock seizure test and able to block the neuronal voltage-dependent sodium channel, have been studied by means of a similarity analysis. Structural and electronic, quantum chemically derived characteristics are compared. Rigid anal...

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Detalles Bibliográficos
Autor principal: Tasso, S.M
Otros Autores: Bruno-Blanch, L.E, Estiú, G.L
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2001
Acceso en línea:Registro en Scopus
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Biblioteca Central Dr. Luis F. Leloir (FCEN) de Universidad de Buenos Aires
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024 7 |2 scopus  |a 2-s2.0-0035789704 
024 7 |2 cas  |a carbamazepine, 298-46-4, 8047-84-5; dezinamide, 91077-32-6; ethosuximide, 77-67-8; felbamate, 25451-15-4; gabapentin, 60142-96-3; lamotrigine, 84057-84-1; oxcarbazepine, 28721-07-5; phenytoin, 57-41-0, 630-93-3; ralitoline, 93738-40-0; remacemide, 111686-79-4; rufinamide, 106308-44-5; topiramate, 97240-79-4; valproic acid, 1069-66-5, 99-66-1; vinpocetine, 42971-09-5; zonisamide, 68291-97-4 
040 |a Scopus  |b spa  |c AR-BaUEN  |d AR-BaUEN 
030 |a JMMOF 
100 1 |a Tasso, S.M. 
245 1 0 |a Pharmacophore model for antiepileptic drugs acting on sodium channels 
260 |c 2001 
270 1 0 |m Estiú, G.L.; CEQUINOR, Depto. de Ciencias Quimica, Universidad Nacional de La Plata, CC 962, 1900 La Plata, Argentina; email: estiu@biol.unlp.edu.ar 
506 |2 openaire  |e Política editorial 
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504 |a MacDonald, R.L., (1995) Antiepileptic Drugs, p. 491. , Levy R, Mattson R, Meldrum B (eds) 4th edn. Raven Press, New York 
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504 |a Bialer, M., Johannessen, S.I., Kupferberg, H.J., Levy, R.H., Loiseau, P., Perucca, E., (1996) Epilepsy Res., 25, p. 299 
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504 |a Maryanoff, B.E., Costanzo, M.J., Nortey, S.O., Greco, M.N., Shank, R.P., Schupsky, J.J., Ortegon, M.P., Vaught, J.L., (1998) J. Med. Chem., 41, p. 1315 
504 |a Gladding, G.D., Kupferberg, H.J., Swinyard, E.A., (1985) Handbook of Experimental Pharmacology, pp. 341-347. , Frey H, Janz D (eds) Springer, Berlin 
504 |a Porter, R.J., Cereghino, J.J., Gladding, G.D., Hessie, B.J., Kupferberg, H.J., Scoville, B., White, B.G., (1984) Clev. Clin. Q, 51, p. 293 
504 |a Tasso, S.M., Bruno-Blanch, L., Esti, G.L., (1997) Int. J. Quant. Chem., 65, p. 1107 
504 |a Brown, M.L., Zha, C.C., Van Dyke, C.C., Brown, G.B., Brouillette, W.J., (1999) J. Med. Chem., 42, p. 1537 
504 |a Tasso, S., Bruno-Blanch, L., Moon, S., Esti, G., (2000) J. Mol. Struct. (Theochem), 504, p. 229 
504 |a Molnar, P., Erdo, S.L., (1995) Eur. J. Pharmacol., 273, p. 303 
504 |a Fariello, R.G., Varasi, M., Smith, M.C., (1995) Antiepileptic Drugs, p. 581. , Levy R, Mattson R, Meldrum B (eds) 4th edn. Raven Press, New York 
504 |a Taylor, C.P., (1995) Antiepileptic Drugs, p. 829. , Levy R, Mattson R, Meldrum B (eds) 4th edn. Raven Press, New York 
504 |a Dam, M., Ostergaard, L.H., (1995) Antiepileptic Drugs, p. 987. , Levy R, Mattson R, Meldrum B (eds) 4th edn. Raven Press, New York 
504 |a Gram, L., (1989) Antiepileptic Drugs, pp. 947-953. , Levy R, Mattson R, Meldrum B, Penry JK, Dreifuss FE (eds) 3rd edn. Raven Press, New York 
504 |a Willow, M., Catterall, W.A., (1982) Mol. Pharmacol., 22, p. 627 
504 |a Willow, M., Kuenzel, E.A., Catterall, W.A., (1984) Mol. Pharmacol., 25, p. 228 
504 |a Chen, A., Weston, J.K., Bratton, A.C., (1963) Epilepsia, 4, p. 66 
504 |a Ferrendelli, J.A., Holland, K.D., (1989) Antiepileptic Drugs, pp. 653-661. , Levy R, Mattson R, Meldrum B, Penry JK, Dreifuss FE (eds) 3rd edn. Raven Press, New York 
504 |a Stewart, J.J.P., Seiler, F.J., Mopac, version 7.0 (1994), Research Laboratory, United States Air Force Academy, Co; (1997), Spartan Wavefunction, Irvine, Calif; Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Pople, J.A., Pa (1998) Gaussian 98, , Gaussian, Pittsburgh 
520 3 |a Fifteen antiepileptic drugs (AED), active against the maximal electroshock seizure test and able to block the neuronal voltage-dependent sodium channel, have been studied by means of a similarity analysis. Structural and electronic, quantum chemically derived characteristics are compared. Rigid analogs are included, because of the flexibility of some structures, in order to discern the conformational requirements associated with these ligands in the moment of the interaction. An inactive compound (ethosuximide) helps in the definition of the structural factors that are important for the activity. We propose a pharmacophore model that, giving an interpretation of the biological activity, allows the design of new AED with a well-defined mechanism of interaction.  |l eng 
593 |a Química Medicinal, Departamento de Ciencias Biologicas, Facultad de Ciencias Exactas, CC 243, 1900 La Plata, Argentina 
593 |a CEQUINOR, Depto. de Ciencias Quimica, Universidad Nacional de La Plata, CC 962, 1900 La Plata, Argentina 
593 |a DQIAyFQ, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pb 2, Buenos Aires, Argentina 
690 1 0 |a ANTIEPILEPTIC 
690 1 0 |a PHARMACOPHORE 
690 1 0 |a QUANTUM CHEMICAL MOLECULAR DESIGN 
690 1 0 |a RATIONAL DRUG DESIGN 
690 1 0 |a SODIUM CHANNEL 
690 1 0 |a ANTICONVULSIVE AGENT 
690 1 0 |a CARBAMAZEPINE 
690 1 0 |a DEZINAMIDE 
690 1 0 |a ETHOSUXIMIDE 
690 1 0 |a FELBAMATE 
690 1 0 |a GABAPENTIN 
690 1 0 |a LAMOTRIGINE 
690 1 0 |a OXCARBAZEPINE 
690 1 0 |a PHENYTOIN 
690 1 0 |a RALITOLINE 
690 1 0 |a REMACEMIDE 
690 1 0 |a RUFINAMIDE 
690 1 0 |a SODIUM CHANNEL 
690 1 0 |a SODIUM CHANNEL BLOCKING AGENT 
690 1 0 |a TOPIRAMATE 
690 1 0 |a VALPROIC ACID 
690 1 0 |a VINPOCETINE 
690 1 0 |a ZONISAMIDE 
690 1 0 |a ANTICONVULSANT ACTIVITY 
690 1 0 |a ARTICLE 
690 1 0 |a CHEMICAL INTERACTION 
690 1 0 |a COMPUTER MODEL 
690 1 0 |a CONFORMATION 
690 1 0 |a CONTROLLED STUDY 
690 1 0 |a DRUG MECHANISM 
690 1 0 |a DRUG POTENCY 
690 1 0 |a DRUG STRUCTURE 
690 1 0 |a ELECTRIC SHOCK 
690 1 0 |a NERVE BLOCK 
690 1 0 |a PHARMACOPHORE 
690 1 0 |a PRIORITY JOURNAL 
690 1 0 |a QUANTITATIVE STRUCTURE ACTIVITY RELATION 
690 1 0 |a QUANTUM CHEMISTRY 
690 1 0 |a SEIZURE 
700 1 |a Bruno-Blanch, L.E. 
700 1 |a Estiú, G.L. 
773 0 |d 2001  |g v. 7  |h pp. 231-239  |k n. 7  |p J. Mol. Model.  |x 16102940  |t Journal of Molecular Modeling 
856 4 1 |u https://www.scopus.com/inward/record.uri?eid=2-s2.0-0035789704&doi=10.1007%2fS008940100033&partnerID=40&md5=576300bce9b26f61ee12b85dc6517834  |y Registro en Scopus 
856 4 0 |u https://doi.org/10.1007/S008940100033  |y DOI 
856 4 0 |u https://hdl.handle.net/20.500.12110/paper_16102940_v7_n7_p231_Tasso  |y Handle 
856 4 0 |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16102940_v7_n7_p231_Tasso  |y Registro en la Biblioteca Digital 
961 |a paper_16102940_v7_n7_p231_Tasso  |b paper  |c PE 
962 |a info:eu-repo/semantics/article  |a info:ar-repo/semantics/artículo  |b info:eu-repo/semantics/publishedVersion 
999 |c 62801 

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