On Application of Carhart Atom Pairs to Predict Anticonvulsant Activity

Journal Title: American Journal of Biochemistry and Biotechnology - Year 2006, Vol 2, Issue 3

Abstract

About 50 million people in the world suffer from epilepsy, especially in childhood, adolescence and old age. Available treatment fails to control epilepsy in up to 30% of affected people. In developing countries, however, the amount of patients that do not receive adequate treatment climbs up to 75%. Moreover, the new generation of antiepileptic drugs (AEDs) causes important central and peripheral side effects, including ataxia, diplopia, dizziness, headache, nausea, allergies and sedation. A mathematical model previously developed by Bagchi and Maiti, involving Carhart atom pairs and similarity measures, is applied in the prediction of anticonvulsant activity of two sets of compounds which have shown to be active in the Maximal Electroshock Seizure (MES) test, meaning that their mechanism of action can be at least partially explained through sodium channels blockade. Nine structurally heterogeneous molecules define the first set of compounds, with Carhart similarities to carbamazepine ranging from 0.005 to 0.593. The second set is defined by four benzodiazepines derivatives with Carhart similarities to THIQ-10c ranging from 0.533 to 0.570. A new, more specific, model is constructed based on the one from Bagchi and Maiti and a pharmacophore previously identified in our laboratory through an active analog approach. Applied to both sets of compounds, our model shows smaller average percentage error and average absolute error in the prediction than the one form Bagchi and Maiti and smaller SD as well. Accuracy and precision in the prediction also increases compared to those obtained when using bare similarity coefficients as relative activity indicators.

Authors and Affiliations

Alan Talevi

Keywords

Related Articles

On Application of Carhart Atom Pairs to Predict Anticonvulsant Activity

About 50 million people in the world suffer from epilepsy, especially in childhood, adolescence and old age. Available treatment fails to control epilepsy in up to 30% of affected people. In developing countries, howev...

Mapping QTLs Linked to Physio-Morphological and Plant Production Traits under Mapping QTLs Linked to Physio-Morphological and Plant Production Traits under

Drought stress is a major constraint for rice (Oryza sativa L.) production and yield stability in rainfed ecosystems. Identifying genomic regions (QTLs) contributing in drought resistance will help to develop rice cult...

Bioceramics for Tissue Engineering Applications – A Review

Three dimensional (3-D) scaffolds have been explored in an attempt to persuade the body to heal or repair tissues that do not do so spontaneously. Considerable advances in tissue engineering and regeneration have been...

Fabrication of 3-D Porous Mg/Zn doped Tricalcium Phosphate Bone-Scaffolds via the Fused Deposition Modelling

Three dimensionally interconnected porous resorbable beta-tricalcium phosphate (-TCP) ceramic scaffolds were developed using the indirect fused deposition modelling process. -TCP was doped with Mg and Zn, separately,...

Biochemical Effects of Recombinant Porcine Somatotropin on Pig Fetal Growth and Metabolism: A Review

Prenatal development is mainly dependent on a close interrelation between nutritional supply use and regulation by hormones and growth factors. Mechanisms during early embryonic development are sensitive to manipulatio...

Download PDF file
  • EP ID EP91186
  • DOI -
  • Views 100
  • Downloads 0

How To Cite

Alan Talevi (2006). On Application of Carhart Atom Pairs to Predict Anticonvulsant Activity. American Journal of Biochemistry and Biotechnology, 2(3), 119-128. https://europub.co.uk./articles/-A-91186