The dynamics of hemoglobin-haptoglobin complexes. Relevance for oxidative stress
F Carrascoza, R Silaghi-Dumitrescu - Journal of Molecular Structure, 2022 - Elsevier
Haptoglobin (Hp) is a protein with role in oxidative stress prevention, which it fulfills by
trapping hemoglobin (Hb) dimers in a strongly-bound complex, thus reducing Hb's ability to
engage in oxidative stress reactions which are greatly enhanced when the Hb tetramer falls
apart into dimers. A first molecular dynamics (MD) analysis is presented here for the Hb-Hp
pair. Also, for the first time the tyrosyl (Tyr) radicals in globins are examined with MD
calculations directed at comparing with electron paramagnetic resonance (EPR)-detected …
trapping hemoglobin (Hb) dimers in a strongly-bound complex, thus reducing Hb's ability to
engage in oxidative stress reactions which are greatly enhanced when the Hb tetramer falls
apart into dimers. A first molecular dynamics (MD) analysis is presented here for the Hb-Hp
pair. Also, for the first time the tyrosyl (Tyr) radicals in globins are examined with MD
calculations directed at comparing with electron paramagnetic resonance (EPR)-detected …