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Page 1
Integrating High-Resolution Mass Spectral Data, Bioassays and Computational Models to Annotate Bioactives in Botanical Extracts: Case Study Analysis of C. asiatica Extract Associates Dicaffeoylquinic Acids with Protection against Amyloid-β Toxicity.
Alcázar Magaña A, Vaswani A, Brown KS, Jiang Y, Alam MN, Caruso M, Lak P, Cheong P, Gray NE, Quinn JF, Soumyanath A, Stevens JF, Maier CS. Alcázar Magaña A, et al. Among authors: lak p. Molecules. 2024 Feb 13;29(4):838. doi: 10.3390/molecules29040838. Molecules. 2024. PMID: 38398590 Free PMC article.
Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Singh I, Seth A, Billesbølle CB, Braz J, Rodriguiz RM, Roy K, Bekele B, Craik V, Huang XP, Boytsov D, Pogorelov VM, Lak P, O'Donnell H, Sandtner W, Irwin JJ, Roth BL, Basbaum AI, Wetsel WC, Manglik A, Shoichet BK, Rudnick G. Singh I, et al. Among authors: lak p. Cell. 2023 May 11;186(10):2160-2175.e17. doi: 10.1016/j.cell.2023.04.010. Epub 2023 May 2. Cell. 2023. PMID: 37137306 Free PMC article.
Reference compounds for characterizing cellular injury in high-content cellular morphology assays.
Dahlin JL, Hua BK, Zucconi BE, Nelson SD Jr, Singh S, Carpenter AE, Shrimp JH, Lima-Fernandes E, Wawer MJ, Chung LPW, Agrawal A, O'Reilly M, Barsyte-Lovejoy D, Szewczyk M, Li F, Lak P, Cuellar M, Cole PA, Meier JL, Thomas T, Baell JB, Brown PJ, Walters MA, Clemons PA, Schreiber SL, Wagner BK. Dahlin JL, et al. Among authors: lak p. Nat Commun. 2023 Mar 13;14(1):1364. doi: 10.1038/s41467-023-36829-x. Nat Commun. 2023. PMID: 36914634 Free PMC article.
Structure-Based Design of a Chemical Probe Set for the 5-HT5A Serotonin Receptor.
Levit Kaplan A, Strachan RT, Braz JM, Craik V, Slocum S, Mangano T, Amabo V, O'Donnell H, Lak P, Basbaum AI, Roth BL, Shoichet BK. Levit Kaplan A, et al. Among authors: lak p. J Med Chem. 2022 Mar 10;65(5):4201-4217. doi: 10.1021/acs.jmedchem.1c02031. Epub 2022 Feb 23. J Med Chem. 2022. PMID: 35195401 Free PMC article.
Energy penalties enhance flexible receptor docking in a model cavity.
Kamenik AS, Singh I, Lak P, Balius TE, Liedl KR, Shoichet BK. Kamenik AS, et al. Among authors: lak p. Proc Natl Acad Sci U S A. 2021 Sep 7;118(36):e2106195118. doi: 10.1073/pnas.2106195118. Proc Natl Acad Sci U S A. 2021. PMID: 34475217 Free PMC article.
21 results