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Focused structure-activity relationship profiling around the 2-phenylindole scaffold of a cannabinoid type-1 receptor agonist-positive allosteric modulator: site-III aromatic-ring congeners with enhanced activity and solubility.
Bioorg Med Chem. 2020 Nov 1;28(21):115727. doi: 10.1016/j.bmc.2020.115727. Epub 2020 Aug 29.
Bioorg Med Chem. 2020.
PMID: 33065437
Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies.
Hurst DP, Garai S, Kulkarni PM, Schaffer PC, Reggio PH, Thakur GA.
Hurst DP, et al. Among authors: schaffer pc.
ACS Med Chem Lett. 2019 Jul 10;10(8):1216-1221. doi: 10.1021/acsmedchemlett.9b00256. eCollection 2019 Aug 8.
ACS Med Chem Lett. 2019.
PMID: 31413808
Free PMC article.
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Application of Fluorine- and Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of Cannabinoid 1 Receptor Positive Allosteric Modulators.
Garai S, Kulkarni PM, Schaffer PC, Leo LM, Brandt AL, Zagzoog A, Black T, Lin X, Hurst DP, Janero DR, Abood ME, Zimmowitch A, Straiker A, Pertwee RG, Kelly M, Szczesniak AM, Denovan-Wright EM, Mackie K, Hohmann AG, Reggio PH, Laprairie RB, Thakur GA.
Garai S, et al. Among authors: schaffer pc.
J Med Chem. 2020 Jan 23;63(2):542-568. doi: 10.1021/acs.jmedchem.9b01142. Epub 2020 Jan 3.
J Med Chem. 2020.
PMID: 31756109
Free PMC article.
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Discovery of a Biased Allosteric Modulator for Cannabinoid 1 Receptor: Preclinical Anti-Glaucoma Efficacy.
Garai S, Leo LM, Szczesniak AM, Hurst DP, Schaffer PC, Zagzoog A, Black T, Deschamps JR, Miess E, Schulz S, Janero DR, Straiker A, Pertwee RG, Abood ME, Kelly MEM, Reggio PH, Laprairie RB, Thakur GA.
Garai S, et al. Among authors: schaffer pc.
J Med Chem. 2021 Jun 24;64(12):8104-8126. doi: 10.1021/acs.jmedchem.1c00040. Epub 2021 Apr 7.
J Med Chem. 2021.
PMID: 33826336
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Design, synthesis, and pharmacological profiling of cannabinoid 1 receptor allosteric modulators: Preclinical efficacy of C2-group GAT211 congeners for reducing intraocular pressure.
Garai S, Schaffer PC, Laprairie RB, Janero DR, Pertwee RG, Straiker A, Thakur GA.
Garai S, et al. Among authors: schaffer pc.
Bioorg Med Chem. 2021 Nov 15;50:116421. doi: 10.1016/j.bmc.2021.116421. Epub 2021 Sep 25.
Bioorg Med Chem. 2021.
PMID: 34634617
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