Biblio

Found 15 results
Filters: Author is Spiliotopoulos, D.  [Clear All Filters]
2023
A. Vedove D, Cazzanelli G., Corsi J., Sedykh M., Batiste L., Marchand J.-R., Spiliotopoulos D., D'Agostino V.G., Caflisch A., Lolli G..  2023.  Identification of BAZ2A bromodomain hit compounds. Acta Crystallographica Section A: Foundations of Crystallography. 78(X):a418-a418.
2022
Dalle Vedove A., Cazzanelli G., Batiste L., Marchand J.-R., Spiliotopoulos D., Corsi J., D’Agostino V.G, Caflisch A., Lolli G..  2022.  Identification of a BAZ2A-bromodomain hit compound by fragment growing. ACS Medicinal Chemistry Letters. 13(9):1434-1443.
2020
Dolbois A., Batiste L., Wiedmer L., Dong J., Brütsch M., Huang D., Deerain N., Spiliotopoulos D., Cheng-Sánchez I., Laul E. et al..  2020.  Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers. ACS Medicinal Chemistry Letters. 11(8):1573-1580.
Unzue A., Jessen-Trefzer C., Spiliotopoulos D., Gaudio E., Tarantelli C., Dong J., Zhao H., Pachmayr J., Zahler S., Bernasconi E. et al..  2020.  Understanding the mechanism of action of pyrrolo[3,2-b]quinoxaline-derivatives as kinase inhibitors. RSC Medicinal Chemistry. 11(8):1573-1580.
2019
Wiedmer L., Schärer C., Spiliotopoulos D., Hürzeler M., Śledź P., Caflisch A..  2019.  Ligand retargeting by binding site analogy. European Journal of Medicinal Chemistry. 175:107-113.
2018
Batiste L., Unzue A., Dolbois A., Hassler F., Wang X., Deerain N., Zhu J., Spiliotopoulos D., Nevado C., Caflisch A..  2018.  Chemical space expansion of bromodomain ligands guided by in silico virtual couplings (AutoCouple). ACS Central Science. 4:180-188.
Dalle Vedove A., Spiliotopoulos D., D'Agostino V.G, Marchand J.-R., Unzue A., Nevado C., Lolli G., Caflisch A..  2018.  Structural analysis of small molecule binding to the BAZ2A and BAZ2B bromodomains. ChemMedChem. 13(14):1479-1487.
2017
Spiliotopoulos D., Wamhoff E.-C., Lolli G., Rademacher C., Caflisch A..  2017.  Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry. 139:564-572.
Spiliotopoulos D., Zhu J., Wamhoff E.-C., Deerain N., Marchand J.-R., Aretz J., Rademacher C., Caflisch A..  2017.  Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters. 27(11):2472-2478.
2016
Xu M., Unzue A., Dong J., Spiliotopoulos D., Nevado C., Caflisch A..  2016.  Discovery of CREBBP bromodomain inhibitors by high-throughput docking and hit optimization guided by molecular dynamics. Journal of Medicinal Chemistry. 59(4):1340-1349.
Unzue A., Xu M., Dong J., Wiedmer L., Spiliotopoulos D., Caflisch A., Nevado C..  2016.  Fragment-based design of selective nanomolar ligands of the CREBBP bromodomain. Journal of Medicinal Chemistry. 59(4):1350-1356.
Spiliotopoulos D., Caflisch A..  2016.  Fragment-based in silico screening of bromodomain ligands. Drug Discovery Today. Technologies. 19:81-90.
2015
Dong J., Zhao H., Zhou T., Spiliotopoulos D., Rajendran C., Li X.-D., Huang D., Caflisch A..  2015.  Structural analysis of the binding of type I, I1/2, and II inhibitors to eph tyrosine kinases. ACS Medicinal Chemistry Letters. 6(1):79-83.
2014
Zhao H., Gartenmann L., Dong J., Spiliotopoulos D., Caflisch A..  2014.  Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorganic & Medicinal Chemistry Letters. 24(11):2493-2496.
Spiliotopoulos D., Caflisch A..  2014.  Molecular dynamics simulations of bromodomains reveal binding-site flexibility and multiple binding modes of the natural ligand acetyl-lysine. Israel Journal of Chemistry. 54(8-9):1084–1092.