New Hybrid Molecules Based on Sulfur-Containing Nicotinonitriles: Synthesis, Analgesic Activity in Acetic Acid-Induced Writhing Test, and Molecular Docking Studies
D. S. Krivokolysko, В. В. Доценко, E. Yu. Bibik, A. A. Samokish, Yu. S. Venidiktova, К. А. Фролов, С. Г. Кривоколыско, A. A. Pankov, Nicolai A. Aksenov, И. В. Аксенова
Abstract
New hybrid molecules bearing furyl and 1,4-dihydronicotinonitrile (or 1,4,5,6-tetrahydronicotinonitrile) fragments have been prepared. The analgesic activity was studied in vivo (rats) in acetic acid-induced writhing test. Some compounds showed activity exceeding that of the reference compound (metamizole). Molecular docking was performed with all the compounds against COX-1 and COX-2. Also, we performed the docking studies in order to find new possible protein targets.
Topics & Concepts
Bioorganic chemistryDocking (animal)ChemistryAnalgesicAcetic acidMoleculeSulfurStereochemistryCombinatorial chemistryPharmacologyOrganic chemistryBiologyMedicineEnzymeNursingSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsClick Chemistry and Applications