Diseño de fármacos análogos a la carbamazepina mediante el uso de técnicas in - sílico
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Epilepsy is a disorder that affects the central nervous system of the human being, in addition, it does not respects age and gender; is a problem that affects the Colombian people as much as the world population, epileptic seizures can occur at any time, in different levels of intensity and against any social context. For this reason there is a need to know in depth how this disorder can be prevented. carbamazepine, is presents itself as the anticonvulsant drug par excellence, occupying the first positions, such as the most prescribed and most effective drug for reducing the intensity and frequency of epileptic seizures, due to its direct action in the inhibition of sodium channels dependent on voltage (Nav), specifically the NaV 1.2 isoform; but it should also be noted that this drug has psychiatric uses to treat symptoms of mania, as a result of suffering from bipolar disorder, which occurs in a percentage of 1.2% of the Colombian population and 2-3% of the population worldwide, with a potential increase in percentage in times of post-pandemic COVID 19. Taking into account that carbamazepine is present in the pharmacological treatment of these diseases, the intrigue is sown to know the toxicological profile of said drug, finding that it has a large number of side effects such as dizziness, confusion, slurred speech, rashes, heart conditions, etc. For this reason, the identification main characteristic of the families of anticonvulsant and antiemetic drugs, for this way to structurally modify carbamazepine in order to find a candidate potential to improve the efficiency and toxicology of this drug. After finding the target Frizzled 8 CRD in home mice to perform virtual screening, by means of software like Avogadro, Autodock vina and chemdraw, 30 modifications can be obtained (see table 7), of which, the 9 candidates with the best affinity energy are selected to know their toxicological profile, with the help of web predictors such as preADMET and SwissADME. Finally the 3 potential candidates for drugs analogous to carbamazepine are chosen (26, 27 and 28), which are structurally derived by a sulfonic acid in position 8 and sulfonamides in positions 3 and 8, respectively.