Characterization of novel carprofen derivatives as inhibitors of the serotonin 5-ht2c receptors and clk4-kd protein kinase for the development of pharmacologically active compounds

In search of novel compounds with multiple biological activities, nine carprofen derivatives (1a-i) have been investigated by molecular docking to explore their interactions with target proteins involved in different diseases, from cancer to inflammation associated pathologies (viral infections, pain, neurodegenerative conditions). The docking studies have been performed to study the dual specificity for the protein kinase CLK4 and serotonin 2C (5-HT2C) receptor. Our molecular docking predictions indicate that the highest predicted binding energy has been observed in the case of the 1b derivative for the 5-HT2C receptor and respectively in the case of derivative 1h for CLK4-KD. Therefore, these two derivatives show a promising potential for the development of multi-pharmacologically active compounds.