Gualou Guizhi decoction reverses brain damage with cerebral ischemic stroke, multi-component directed multi-target to screen calcium-overload inhibitors using combination of molecular docking and protein-protein docking.

Abstract	Stroke is a disease of the leading causes of mortality and disability across the world, but the benefits of drugs curative effects look less compelling, intracellular calcium overload is considered to be a key pathologic factor for ischemic stroke. Gualou Guizhi decoction (GLGZD), a classical Chinese medicine compound prescription, it has been used to human clinical therapy of sequela of cerebral ischemia stroke for 10 years. This work investigated the GLGZD improved prescription against intracellular calcium overload could decreased the concentration of [Ca2+]i in cortex and striatum neurone of MCAO rats. GLGZD contains Trichosanthin and various small molecular that they are the potential active ingredients directed against NR2A, NR2B, FKBP12 and Calnodulin target proteins/enzyme have been screened by computer simulation. "Multicomponent systems" is capable to create pharmacological superposition effects. The Chinese medicine compound prescriptions could be considered as promising sources of candidates for discovery new agents.
Authors	Juan Hu, Wen-Sheng Pang, Jing Han, Kuan Zhang, Ji-Zhou Zhang, Li-Dian Chen
Journal	Journal of enzyme inhibition and medicinal chemistry (J Enzyme Inhib Med Chem) Vol. 33 Issue 1 Pg. 115-125 (Dec 2018) ISSN: 1475-6374 [Electronic] England
PMID	29185359 (Publication Type: Journal Article)
Chemical References	Drugs, Chinese Herbal NR2B NMDA receptor Receptors, N-Methyl-D-Aspartate Small Molecule Libraries guizhi decoction Trichosanthin Tacrolimus Binding Protein 1A Calcium N-methyl D-aspartate receptor subtype 2A
Topics	Administration, Oral Animals Brain Ischemia (drug therapy) Calcium (metabolism) Dose-Response Relationship, Drug Drugs, Chinese Herbal (administration & dosage, chemistry, pharmacology) Molecular Docking Simulation Protein Binding (drug effects) Rats Rats, Sprague-Dawley Receptors, N-Methyl-D-Aspartate (antagonists & inhibitors) Small Molecule Libraries (administration & dosage, chemistry, pharmacology) Stroke (drug therapy) Structure-Activity Relationship Tacrolimus Binding Protein 1A (antagonists & inhibitors, metabolism) Trichosanthin (administration & dosage, chemistry, pharmacology)

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