In silico approach for the discovery of new PPARÎ³ modulators among plant-derived polyphenols.

Encinar, José Antonio; Fernández-Ballester, Gregorio; Galiano-Ibarra, Vicente; Micol, Vicente

Encinar, José Antonio; Fernández-Ballester, Gregorio; Galiano-Ibarra, Vicente; Micol, Vicente.

Affiliation

Encinar JA; Molecular and Cell Biology Institute, Miguel Hernández University, Elche, Spain.
Fernández-Ballester G; Molecular and Cell Biology Institute, Miguel Hernández University, Elche, Spain.
Galiano-Ibarra V; Physics and Computer Architecture Department, Miguel Hernández University, Elche, Spain.
Micol V; Molecular and Cell Biology Institute, Miguel Hernández University, Elche, Spain ; CIBER: CB12/03/30038 Physiopathology of Obesity and Nutrition, CIBERobn, Instituto de Salud Carlos III, Palma de Mallorca, Spain.

Drug Des Devel Ther ; 9: 5877-95, 2015.

Article in En | MEDLINE | ID: mdl-26604687

Subject(s)

Diabetes Mellitus, Type 2/drug therapy; Hypoglycemic Agents/pharmacology; PPAR gamma/drug effects; Polyphenols/pharmacology; Binding Sites; Blood Glucose/drug effects; Computer Simulation; Diabetes Mellitus, Type 2/physiopathology; Drug Design; Humans; Hypoglycemic Agents/adverse effects; Hypoglycemic Agents/isolation & purification; Insulin/metabolism; Insulin Resistance; Molecular Docking Simulation; PPAR gamma/metabolism; Plants, Medicinal/chemistry; Polyphenols/adverse effects; Polyphenols/isolation & purification; Thiazolidinediones/pharmacology

Key words

ADMET; AutoDock/Vina; TZDs; high-throughput computing; human PPARÎ³; molecular docking; phenolic compounds; virtual screening

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Full text: 1 Database: MEDLINE Therapeutic Methods and Therapies TCIM: Terapias_biologicas Main subject: PPAR gamma / Diabetes Mellitus, Type 2 / Polyphenols / Hypoglycemic Agents Type of study: Prognostic_studies Language: En Journal: Drug Des Devel Ther Year: 2015 Type: Article Affiliation country: Spain

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