Discovery of New Phosphoinositide 3-kinase Delta (PI3KÎ´) Inhibitors via Virtual Screening using Crystallography-derived Pharmacophore Modelling and QSAR Analysis.

Al-Sha'er, Mahmoud A; Al-Aqtash, Rua'a A; Taha, Mutasem O

Al-Sha'er, Mahmoud A; Al-Aqtash, Rua'a A; Taha, Mutasem O.

Affiliation

Al-Sha'er MA; Faculty of Pharmacy, Zarqa University, P.O. Box 132222, Zarqa, 13132, Jordan.
Al-Aqtash RA; Faculty of Pharmacy, Zarqa University, P.O. Box 132222, Zarqa, 13132, Jordan.
Taha MO; Department of Pharmaceutical Sciences, Faculty of Pharmacy, The University of Jordan, Amman, Jordan.

Med Chem ; 15(6): 588-601, 2019.

Article in En | MEDLINE | ID: mdl-30799792

Subject(s)

Drug Discovery; Phosphatidylinositol 3-Kinases/metabolism; Phosphoinositide-3 Kinase Inhibitors; Protein Kinase Inhibitors/metabolism; Animals; Binding Sites; Class I Phosphatidylinositol 3-Kinases; Crystallography, X-Ray; Ligands; Mice; Molecular Docking Simulation; Molecular Structure; Phosphatidylinositol 3-Kinases/chemistry; Protein Binding; Protein Kinase Inhibitors/chemistry; Quantitative Structure-Activity Relationship

Key words

Co-crystallized structure; PI3KÎ´; anticancer; docking; pharmacophore modeling; roc analysis.

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Full text: 1 Database: MEDLINE Main subject: Phosphatidylinositol 3-Kinases / Protein Kinase Inhibitors / Drug Discovery / Phosphoinositide-3 Kinase Inhibitors Type of study: Diagnostic_studies / Screening_studies Limits: Animals Language: En Year: 2019 Type: Article

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