Structural features and in silico prediction of the biological properties of a pyrazole-based coordination complex

Pyrazole derivatives have been widely studied for their applications as analgesic , antibacterial, anti-hyperglycemic, anti-inflammatory, antipyretic, hypoglycaemic and sedative hypnotic agents. For instance, celecoxib, rimonabant, fomepizole and sildenafil were reported to be selective drugs. In fact, celecoxib demonstrated an anti-inflammatory effect and inhibited cox-2, whereas rimonabant is considered as a cannabixiod receptor and is used for obesity treatment. On the other hand, Bindenafil and fomepizole are known for inhibiting phosphodiesterase and alcohol dehydrogenase, respectively. Additionally, some pyrazole derivatives have non-nucleoside HIV-1 reverse transcriptase inhibitory activities, their metallic complexes are active metallobiomolecules and have shown excellent antibacterial and antifungal efficiency. In order to contribute to the enrichment of these systems study, we will discuss the synthesis of a pyrazole-based cobalt(II) complex together with its structural and physical properties. Furthermore, an in silico study of the complex was performed in order to estimate its biological activity towards Staphylococcus aureus tyrosyl-tRNA synthetase and Pyrococcus kodakaraensis aspartyl-tRNA synthetase using molecular docking calculations.