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Design of selective PI3Kδ inhibitors using an iterative scaffold-hopping workflow

Xavier Fradera, Joey L. Methot, Abdelghani Achab, Matthew Christopher, Michael D. Altman, Zhou Hua, Meredeth A. McGowan, Solomon D. Kattar, Kevin J. Wilson, Yudith Garcia,

Bioorganic & Medicinal Chemistry Letters · 2019 · 18 citations · 16 references

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Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

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The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area

Paul Labute · Journal of Computational Chemistry · 2008 · 496 citations

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The p110δ structure: mechanisms for selectivity and potency of new PI(3)K inhibitors

Alex Berndt, Simon Miller, Olusegun Williams et al. · Nature Chemical Biology · 2010 · 292 citations · Full text

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Umbralisib, a novel PI3Kδ and casein kinase-1ε inhibitor, in relapsed or refractory chronic lymphocytic leukaemia and lymphoma: an open-label, phase 1, dose-escalation, first-in-human study

Howard A. Burris, Ian W. Flinn, Manish R. Patel et al. · The Lancet Oncology · 2018 · 205 citations

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The phosphoinositide-3-kinase (PI3K)-delta and gamma inhibitor, IPI-145 (Duvelisib), overcomes signals from the PI3K/AKT/S6 pathway and promotes apoptosis in CLL

Kumudha Balakrishnan, Marisa Peluso, Min Fu et al. · Leukemia · 2015 · 167 citations · Full text

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