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The influence of hydrogen ions on coagulation in traumatic brain injury, explored by molecular dynamics
- Source :
- Brain Injury. 35:842-849
- Publication Year :
- 2021
- Publisher :
- Informa UK Limited, 2021.
-
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 and methods: 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.
- Subjects :
- 030506 rehabilitation
medicine.medical_specialty
medicine.drug_class
Traumatic brain injury
Neuroscience (miscellaneous)
Molecular Dynamics Simulation
Fibrinogen
law.invention
03 medical and health sciences
Tissue factor
0302 clinical medicine
law
Internal medicine
Intensive care
Diabetes mellitus
Brain Injuries, Traumatic
Developmental and Educational Psychology
medicine
Humans
Blood Coagulation
business.industry
Anticoagulant
medicine.disease
Intensive care unit
Endocrinology
Coagulation
Neurology (clinical)
Protons
0305 other medical science
business
030217 neurology & neurosurgery
medicine.drug
Subjects
Details
- ISSN :
- 1362301X and 02699052
- Volume :
- 35
- Database :
- OpenAIRE
- Journal :
- Brain Injury
- Accession number :
- edsair.doi.dedup.....58eb6ff6dec5f23074b82eecffb72e1e