Biblio

Found 11 results
Filters: Author is Unzue, A.  [Clear All Filters]
2023
Cazzanelli G., Vedove A.D., Parolin E., D'Agostino V.G., Unzue A., Nevado C., Caflisch A., Lolli G..  2023.  Reevaluation of bromodomain ligands targeting BAZ2A. Protein Science. 32(9):e4752.
2020
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.
2018
Zhu J., Dong J., Batiste L., Unzue A., Dolbois A., Pascanu V., Śledź P., Nevado C., Caflisch A..  2018.  Binding motifs in the CBP Bromodomain: an analysis of 20 crystal structures of complexes with small molecules. ACS Med Chem Lett. 9(9):929-934.
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.
Unzue A., Cribiú R., Hoffman MM, Knehans T., Lafleur K., Caflisch A., Nevado C..  2018.  Iriomoteolides: novel chemical tools to study actin dynamics. Chemical Science. 9(15):3793-3802.
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.
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.
Unzue A., Zhao H., Lolli G., Dong J., Zhu J., Zechner M., Dolbois A., Caflisch A., Nevado C..  2016.  The "gatekeeper" residue influences the mode of binding of acetyl indoles to bromodomains. Journal of Medicinal Chemistry. 59(7):3087-3097.
Unzue A., Lafleur K., Zhao H., Zhou T., Dong J., Kolb P., Liebl J., Zahler S., Caflisch A., Nevado C..  2016.  Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. European Journal of Medicinal Chemistry. 112:347-366.
2014
Unzue A., Dong J., Lafleur K., Zhao H., Frugier E., Caflisch A., Nevado C..  2014.  Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: Structure-based design, synthesis, and in vivo validation. Journal of Medicinal Chemistry. 57(15):6834-6844.