NOVEL TETRAZOLE AND 1,3,4-OXADIAZOLE DERIVATIVES SYNTHESIS, MOLECULAR DOCKING, ADME, POTENTIAL ACTIVATOR FOR RABBIT MUSCLE PYRUVATE KINASE


Kaya M. O., Demirci T., Karipçin S., Özdemir O., Kaya Y., Arslan M.

STUDIA UNIVERSITATIS BABES-BOLYAI CHEMIA, cilt.1, sa.LXIX, ss.85-105, 2024 (SCI-Expanded)

Özet

The activation of muscle pyruvate kinase (PK) increases the conversion of phosphoenolpyruvate (PEP) to pyruvate, which results in the production of ATP. This is critical for supplying the energy needed for muscle contraction. In this study, we synthesized 1,4-dihydropyridine/pyridine compounds bearing tetrazole and 1,3,4-oxadiazole groups by using Hantzsch method and characterized by FT-IR spectroscopy, elemental analysis, and 1H and 13C NMR and studied PK activation, ADME, and molecular docking. The studies revealed that all original synthesized compounds activated PK and AC50 (half-maximal activating concentration) values of the compounds were extremely effective (1.30 μM to 14.65 μM).