Author
Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.
5 papers
Recent·Most cited
F. Liu, C.-G. Wu, C.-L. Tu, I. Glenn, J. Meyerowitz, A. L. Kaplan, J. Lyu, Z. Cheng, O. O. Tarkhanova, Y. S. Moroz, J. J. Irwin, W. Chang, B. K. Shoichet, G. Skiniotis
The paper uses structure-based virtual screening to identify novel CaSR PAMs with higher potency and reduced side effects compared to existing drugs.
bioRxiv · Dec 27, 2023 · PreprintBiophysics
F. Liu, A. L. Kaplan, J. Levring, J. Einsiedel, S. Tiedt, K. Distler, N. Omattage, I. S. Kondratov, Y. S. Moroz, H. L. Pietz, J. J. Irwin, P. Gmeiner, B. K. Shoichet, J. Chen
The paper identifies novel CFTR modulators using molecular docking, electrophysiology, cryo-EM, and medicinal chemistry, discovering potentiators and inhibitors with mid-nanomolar activity.
bioRxiv · Sep 9, 2023Biophysics
T. A. Tummino, C. Iliopoulos-Tsoutsouvas, J. M. Braz, E. S. O'Brien, R. M. Stein, V. Craik, N. K. Tran, S. Ganapathy, F. Liu, Y. Shiimura, F. Tong, T. C. Ho, D. S. Radchenko, Y. S. Moroz, S. R. Rosado, , B. K. Shoichet
The paper identifies a new cannabinoid-1 receptor agonist with reduced side effects through large library docking and experimental validation.
bioRxiv · Feb 27, 2023 · PreprintPharmacology & Toxicology
I. Singh, F. Li, E. Fink, I. Chau, A. Li, A. Rodriguez-Hernandez, I. Glenn, F. J. Zapatero-Belinchon, M. Rodriguez, K. Devkota, Z. Deng, K. White, X. Wan, N. A. Tolmachova, Y. S. Moroz, , B. K. Shoichet
The paper identifies multiple inhibitors of SARS-CoV-2 Nsp14 N7-methyltransferase using docking strategies, with some showing sub-10 M potency and selectivity.
bioRxiv · Jan 12, 2023 · PreprintBiophysics
A. Alon, J. Lyu, J. M. Braz, T. A. Tummino, V. Craik, M. J. O'Meara, C. M. Webb, D. S. Radchenko, Y. S. Moroz, X.-P. Huang, Y. Liu, B. L. Roth, J. J. Irwin, A. I. Basbaum, B. K. Shoichet, A. C. Kruse
This study uses crystal structures of the σ2 receptor to dock and screen a large library, identifying new chemotypes with high affinity and selectivity for the receptor.
bioRxiv · Apr 29, 2021Pharmacology & Toxicology