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La psoriasis es una enfermedad inflamatoria crónica inmunomediada en la que el eje IL-23/Th17 dirige el proceso patogénico. En la regulación del sistema inmunitario la propensión al desarrollo de la psoriasis en una población colombiana se asoció con la variante no sinónima I684S en TYK2. En el estudio funcional del efecto de la variante a nivel molecular, se hizo la modelación molecular de la enzima a partir de su secuencia primaria, lo que permite reconocer el plegamiento tridimensional y unificar así el modelo con las estructuras cristalizadas de las diferentes subunidades de la enzima que han sido reportadas como aisladas y sin conexión. Este modelo final se refinó utilizando dos programas y se seleccionó el mejor para la simulación posterior según la puntuación de los valores energéticos y estereoquímicos. La simulación molecular se hizo con el método semiempírico del programa Spartan 18’ y el campo de fuerza del Austin Model 1 para la región vecinal que incluye la posición 684 en donde se hizo el cálculo energético y de superficie electrónica bajo un enfoque mecánico cuántico. Los resultados evidenciaron que los modelos presentaron cambios tridimensionales a nivel topológico de la enzima TYK2 silvestre y la mutación I684S en los patrones del enlace de hidrógeno y en la estructura electrónica, con un aumento de la densidad electrónica en la mutación que favorece la fosforilación de quinasas en la transducción de la señal y la desregulación inmunológica.
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