Publications by authors named "Rua'a A Al-Aqtash"
Article Synopsis
- PI3Kδ, mostly found in immune cells, plays a key role in activating leukocytes and is targeted for treatments of inflammatory diseases and blood cancers.
- The study analyzed 17 crystallographic complexes to create 94 pharmacophore models, using QSAR modeling to identify the best predictors of bioactivity from a diverse set of 79 inhibitors.
- The top QSAR model demonstrated strong predictive capabilities and was used to search the NCI database, which led to the identification of two potential new PI3Kδ inhibitors with promising activity.
Platelet derived growth factor beta receptor (PDGFR- β) plays an important role in angiogenesis. PDGFR-β expression is correlated with increased vascularity and maturation of blood vessels in cancer. Pharmacophore modeling and quantitative structure-activity relationship (QSAR) analysis were combined to explore the structural requirements for ligand-PDGFR-β recognition using 107 known PDGFR-β inhibitors.
View Article and Find Full Text PDFUnlabelled: The Middle East respiratory syndrome coronavirus (MERS-CoV) is an emerging virus that poses a major challenge to clinical management. The 3C-like protease (3CL ) is essential for viral replication and thus represents a potential target for antiviral drug development. Presently, very few data are available on MERS-CoV 3CL inhibition by small molecules.
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