The influence of hydrogen ions on coagulation in traumatic brain injury, explored by molecular dynamics.
Brain Inj
; 35(7): 842-849, 2021 06 07.
Article
in En
| MEDLINE
| ID: mdl-33678100
ABSTRACT
Background:
Patients in intensive care units with traumatic brain injuries (TBI) frequently present acid-base abnormalities and coagulability disorders, which complicate their condition.Objective:
To identify protonation through in silico simulations of molecules involved in the process of coagulation in standard laboratory tests.Materials andmethods:
Ten patients with TBI were selected from the intensive care unit in addition to ten "healthy control subjects", and another nine patients as "disease control subjects"; the latter being a comparative group, corresponding to subjects with diabetes mellitus 2 (DM2). Fibrinogen, FVII, FVIII, FIX, FX, and D-dimer in the presence of acidification were evaluated in 20 healthy subjects in order to compare clinical results with molecular dynamics (MD), and to explain proton interactions and coagulation molecules.Results:
The TBI group presented a slight, non-significant increase in D-dimer; but this was not present in "disease control subjects". Levels of fibrinogen, FVII, FIX, FX, and D-dimer were affected in the presence of acidification. We observed that various specific residues of coagulation factors "trap" ions.Conclusion:
Protonation of tissue factor and factor VIIa may favor anticoagulant mechanisms, and protonation does not affect ligand binding sites of GPIIb/IIIa (PAC1) suggesting other causes for the low affinity to PAC1.Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Protons
/
Brain Injuries, Traumatic
Type of study:
Prognostic_studies
Limits:
Humans
Language:
En
Journal:
Brain Inj
Journal subject:
CEREBRO
Year:
2021
Document type:
Article
Affiliation country:
Mexico