Drug discovery effectiveness from the standpoint of therapeutic mechanisms and indications von Shih, Hsin-Pei, Zhang, Xiaodan, Aronov, Alex M.

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Common Pharmacophores for Uncharged Human Ether-a-go-go-Related Gene (hERG) Blockers von Aronov, Alex M

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Predictive in silico modeling for hERG channel blockers von Aronov, Alex M.

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Targeting the MAPK Signaling Pathway in Cancer: Promising Preclinical Activity with the Novel Selective ERK1/2 Inhibitor BVD-523 (Ulixertinib) von Germann, Ursula A, Furey, Brinley F, Markland, William, Hoover, Russell R, Aronov, Alex M, Roix, Jeffrey J, Hale, Michael, Boucher, Diane M, Sorrell, David A, Martinez-Botella, Gabriel, Fitzgibbon, Matthew, Shapiro, Paul, Wick, Michael J, Samadani, Ramin, Meshaw, Kathryn, Groover, Anna, DeCrescenzo, Gary, Namchuk, Mark, Emery, Caroline M, Saha, Saurabh, Welsch, Dean J

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Drug discovery effectiveness from the standpoint of therapeutic mechanisms and indications von Shih, Hsin-Pei, Zhang, Xiaodan, Aronov, Alex M

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Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity von Chen, Yu-Chen, Tolbert, Robert, Aronov, Alex M, McGaughey, Georgia, Walters, W. Patrick, Meireles, Lidio

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Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3‑Kinase γ von Collier, Philip N., Martinez-Botella, Gabriel, Cornebise, Mark, Cottrell, Kevin M., Doran, John D., Griffith, James P., Mahajan, Sudipta, Maltais, François, Moody, Cameron S., Huck, Emilie Porter, Wang, Tiansheng, Aronov, Alex M.

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Kinase-likeness and Kinase-Privileged Fragments: Toward Virtual Polypharmacology von Aronov, Alex M, McClain, Brian, Moody, Cameron Stuver, Murcko, Mark A

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Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3‑Kinase γ (PI3Kγ) Inhibitors with Potential for the Treatment of M... von Come, Jon H, Collier, Philip N, Henderson, James A, Pierce, Albert C, Davies, Robert J, Le Tiran, Arnaud, O’Dowd, Hardwin, Bandarage, Upul K, Cao, Jingrong, Deininger, David, Grey, Ron, Krueger, Elaine B, Lowe, Derek B, Liang, Jianglin, Liao, Yusheng, Messersmith, David, Nanthakumar, Suganthi, Sizensky, Emmanuelle, Wang, Jian, Xu, Jinwang, Chin, Elaine Y, Damagnez, Veronique, Doran, John D, Dworakowski, Wojciech, Griffith, James P, Jacobs, Marc D, Khare-Pandit, Suvarna, Mahajan, Sudipta, Moody, Cameron S, Aronov, Alex M

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Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation von Bower, Michael J, Aronov, Alex M, Cleveland, Thomas, Hariparsad, Niresh, McGaughey, Georgia B, McMasters, Daniel R, Zhang, Xiaodan, Goldman, Brian

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Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors von Bonafoux, Dominique, Nanthakumar, Suganthini, Bandarage, Upul K, Memmott, Christine, Lowe, Derek, Aronov, Alex M, Bhisetti, Govinda Rao, Bonanno, Kenneth C, Coll, Joyce, Leeman, Joshua, Lepre, Christopher A, Lu, Fan, Perola, Emanuele, Rijnbrand, Rene, Taylor, William P, Wilson, Dean, Zhou, Yi, Zwahlen, Jacque, ter Haar, Ernst

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Structure-Guided Design of Potent and Selective Pyrimidylpyrrole Inhibitors of Extracellular Signal-Regulated Kinase (ERK) Using Conformational Control von Aronov, Alex M, Tang, Qing, Martinez-Botella, Gabriel, Bemis, Guy W, Cao, Jingrong, Chen, Guanjing, Ewing, Nigel P, Ford, Pamella J, Germann, Ursula A, Green, Jeremy, Hale, Michael R, Jacobs, Marc, Janetka, James W, Maltais, Francois, Markland, William, Namchuk, Mark N, Nanthakumar, Suganthini, Poondru, Srinivasu, Straub, Judy, ter Haar, Ernst, Xie, Xiaoling

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Discovery of Potent, Selective Triazolothiadiazole-Containing c‑Met Inhibitors von Tang, Qing, Aronov, Alex M, Deininger, David D, Giroux, Simon, Lauffer, David J, Li, Pan, Liang, Jianglin, McGinty, Kira, Ronkin, Steven, Swett, Rebecca, Waal, Nathan, Boucher, Diane, Ford, Pamella J, Moody, Cameron S

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Discovery of Highly Isoform Selective Thiazolopiperidine Inhibitors of Phosphoinositide 3‑Kinase γ von Collier, Philip N., Messersmith, David, Le Tiran, Arnaud, Bandarage, Upul K., Boucher, Christina, Come, Jon, Cottrell, Kevin M., Damagnez, Veronique, Doran, John D., Griffith, James P., Khare-Pandit, Suvarna, Krueger, Elaine B., Ledeboer, Mark W., Ledford, Brian, Liao, Yusheng, Mahajan, Sudipta, Moody, Cameron S., Roday, Setu, Wang, Tiansheng, Xu, Jinwang, Aronov, Alex M.

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Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K gamma Inhibitors von Bandarage, Upul K., Aronov, Alex M., Cao, Jingrong, Come, Jon H., Cottrell, Kevin M., Davies, Robert J., Giroux, Simon, Jacobs, Marc, Mahajan, Sudipta, Messersmith, David, Moody, Cameron S., Swett, Rebecca, Xu, Jinwang

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Synthesis of a 6‑Aza-Isoindolinone-Based Inhibitor of Phosphoinositide 3‑Kinase γ via Ruthenium-Catalyzed [2 + 2 + 2] Cyclotrimerization von Collier, Philip N, Panchagnula, Advaita, O’Dowd, Hardwin, Le Tiran, Arnaud, Aronov, Alex M

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A model for identifying HERG K + channel blockers von Aronov, Alex M., Goldman, Brian B.

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Flipped Out:  Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors von Aronov, Alex M, Baker, Christopher, Bemis, Guy W, Cao, Jingrong, Chen, Guanjing, Ford, Pamella J, Germann, Ursula A, Green, Jeremy, Hale, Michael R, Jacobs, Marc, Janetka, James W, Maltais, Francois, Martinez-Botella, Gabriel, Namchuk, Mark N, Straub, Judy, Tang, Qing, Xie, Xiaoling

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Toward a Pharmacophore for Kinase Frequent Hitters von Aronov, Alex M, Murcko, Mark A

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A minimalist approach to fragment-based ligand design using common rings and linkers: Application to kinase inhibitors von Aronov, Alex M., Bemis, Guy W.

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