Science and Technology Production
Quantitative structure activity relationship models for compounds with anti-convulsant activity
Article
Date:
2019Publishing House and Editing Place:
INFORMA HEALTHCAREMagazine:
EXPERT OPINION ON DRUG DISCOVERY, vol. 14 (pp. 653-665) INFORMA HEALTHCARESummary *
Third generation antiepileptic drugs have seemingly failed to improve the global figures of seizure control and they can still be regarded as symptomatic treatments. Quantitative structure-activity relationships (QSAR) can be applied to guide hit-to-lead and lead optimization projects, and they also find application in the large-scale virtual screening of chemical libraries.In this review, the authors cover reports on QSAR models related to antiepileptic drugs and drug targets in epilepsy, analyzing whether they refer to classic or non-classic QSAR and if they apply QSAR as a descriptive or predictive approach, among other considerations. The article finally focuses on a more detailed discussion of those predictive studies including some sort of experimental validation, i.e. papers in which the reported models have been used to identify novel active compounds which have been tested in vitro and/or in vivo. Information provided by the agent in SIGEVAKey Words
QSAREPILEPSYMOLECULAR DESCRPTORSVIRTUAL SCREENING