Interactions of GFAP with ceftriaxone and phenytoin: SRCD and molecular docking and dynamic simulation

• Published in: Biochimica et biophysica acta Vol. 1860; no. 10; pp. 2239 - 2248
• Main Authors: Ruzza, Paolo, Vitale, Rosa Maria, Hussain, Rohanah, Biondi, Barbara, Amodeo, Pietro, Sechi, GianPietro, Siligardi, Giuliano
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.10.2016
• Subjects: Alexander Disease - drug therapy; Alexander Disease - metabolism; Alexander Disease - pathology; alpha-Synuclein - biosynthesis; alpha-Synuclein - chemistry; alpha-Synuclein - metabolism; Alzheimer disease; Animals; astrocytes; Astrocytes - drug effects; Astrocytes - metabolism; Astrocytes - pathology; binding sites; Binding Sites - drug effects; blood-brain barrier; Ceftriaxone; Ceftriaxone - administration & dosage; Ceftriaxone - chemistry; circular dichroism spectroscopy; Glial fibrillary acidic protein; Glial Fibrillary Acidic Protein - chemistry; Glial Fibrillary Acidic Protein - genetics; Glial Fibrillary Acidic Protein - metabolism; Humans; Intermediate Filament Proteins - chemistry; Intermediate Filament Proteins - metabolism; ligands; Molecular Docking Simulation; Molecular Dynamics Simulation; molecular models; Nerve Degeneration - drug therapy; Nerve Degeneration - pathology; Neurodegenerative diseases; patients; PC12 Cells; phenytoin; Phenytoin - administration & dosage; Phenytoin - chemistry; polymerization; protective effect; Protein Aggregation, Pathological - drug therapy; Protein Aggregation, Pathological - metabolism; Rats; scrapie; sodium; Synchrotron radiation circular dichroism spectroscopy; toxicity; Synchrotron radiation circular dichroism spectroscopy; Ceftriaxone; Neurodegenerative diseases; Glial fibrillary acidic protein

GFAP is the major intermediate filament protein in mature astrocytes. Its increased expression and aggregation was firstly associated to Alexander's disease, and successively in different neurological diseases including scrapie, Alzheimer's and Creutzfeld–Jacob diseases. Recently, ceftriax...