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Similarity-potency trees: a method to search for SAR information in compound data sets and derive SAR rules.

Wawer M, Bajorath J. Similarity-potency trees: a method to search for SAR information in compound data sets and derive SAR rules. J Chem Inf Model. 2010;50(8):1395-409. doi:10.1021/ci100197b

Data structures and computational tools for the extraction of SAR information from large compound sets.

Wawer M, Lounkine E, Wassermann AM, Bajorath J. Data structures and computational tools for the extraction of SAR information from large compound sets. Drug Discov Today. 2010;15(15-16):630-9. doi:10.1016/j.drudis.2010.06.004

SARANEA: a freely available program to mine structure-activity and structure-selectivity relationship information in compound data sets.

Lounkine E, Wawer M, Wassermann AM, Bajorath J. SARANEA: a freely available program to mine structure-activity and structure-selectivity relationship information in compound data sets. J Chem Inf Model. 2010;50(1):68-78. doi:10.1021/ci900416a

Lymphocyte surface poisons: disulfides and thiolsulfonates.

Field L, Gallo AA, Beck FW, Whitehouse MW. Lymphocyte surface poisons: disulfides and thiolsulfonates. Chem Biol Interact. 1978;23(2):215-25.

Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.

LaRochelle JR, Fodor M, Ellegast JM, et al. Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2. Bioorg Med Chem. 2017;25(24):6479-6485. doi:10.1016/j.bmc.2017.10.025

Intersubunit Crosstalk in the Rag GTPase Heterodimer Enables mTORC1 to Respond Rapidly to Amino Acid Availability.

Shen K, Choe A, Sabatini DM. Intersubunit Crosstalk in the Rag GTPase Heterodimer Enables mTORC1 to Respond Rapidly to Amino Acid Availability. Mol Cell. 2017;68(3):552-565.e8. doi:10.1016/j.molcel.2017.09.026

A CRISPR screen identifies a pathway required for paraquat-induced cell death.

Reczek CR, Birsoy K, Kong H, et al. A CRISPR screen identifies a pathway required for paraquat-induced cell death. Nat Chem Biol. 2017;13(12):1274-1279. doi:10.1038/nchembio.2499

Binding Mode and Structure-Activity Relationships of ITE as an Aryl Hydrocarbon Receptor (AhR) Agonist.

Dolciami D, Gargaro M, Cerra B, et al. Binding Mode and Structure-Activity Relationships of ITE as an Aryl Hydrocarbon Receptor (AhR) Agonist. ChemMedChem. 2018;13(3):270-279. doi:10.1002/cmdc.201700669

Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis.

Zhang W, Lun S, Wang SH, et al. Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis. J Med Chem. 2018;61(3):791-803. doi:10.1021/acs.jmedchem.7b01319

2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1γ) inhibitors.

Hua Z, Huang X, Bregman H, et al. 2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1γ) inhibitors. Bioorg Med Chem Lett. 2012;22(17):5392-5. doi:10.1016/j.bmcl.2012.07.046