« Back to Farmacia Journal 6/2023

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

ANA MARIA UDREA 1,2,#, SPERANȚA AVRAM 3,#, LIVIU IULIAN ROTARU 3#, DIANA CAMELIA NUȚĂ 4, FLOREA DUMITRAŞCU 5,, ILINCA MARGARETA VLAD 4*, MARIA COANDĂ 4, CRISTINA ELENA DINU-PÎRVU 6, CARMEN LIMBAN 4

1Laser Department, National Institute for Laser, Plasma and Radiation Physics, 409 Atomiștilor, 077125, Măgurele, Romania
2Research Institute of the University of Bucharest- ICUB, 90 Panduri Roadway, University of Bucharest, Romania
3Department of Anatomy, Animal Physiology, and Biophysics, Faculty of Biology, University of Bucharest, 36-46 M. Kogălniceanu Boulevard, 050107, Romania
4Department of Pharmaceutical Chemistry, Faculty of Pharmacy, “Carol Davila” University of Medicine and Pharmacy, 6 Traian Vuia, 020956, Bucharest, Romania
5“C. D. Nenitzescu” Institute of Organic and Supramolecular Chemistry, 202B Splaiul Independenței, 060023, Bucharest, Romania
6Department of Physical and Colloidal Chemistry, Faculty of Pharmacy, “Carol Davila” University of Medicine and Pharmacy, 6 Traian Vuia, 020956, Bucharest, Romania

Download Full Article PDF

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.