Through the “Gatekeeper Door”: Exploiting the Active Kinase Conformation von Zuccotto, Fabio, Ardini, Elena, Casale, Elena, Angiolini, Mauro

Volltext

Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital method von Lukac, Iva, Wyatt, Paul G., Gilbert, Ian H., Zuccotto, Fabio

Volltext

Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis von Baragan˜a, Beatriz, Forte, Barbara, Choi, Ryan, Hewitt, Stephen Nakazawa, Bueren-Calabuig, Juan A., Pisco, Joa˜o Pedro, Peet, Caroline, Dranow, David M., Robinson, David A., Jansen, Chimed, Norcross, Neil R., Vinayak, Sumiti, Anderson, Mark, Brooks, Carrie F., Cooper, Caitlin A., Damerow, Sebastian, Delves, Michael, Dowers, Karen, Duffy, James, Edwards, Thomas E., Hallyburton, Irene, Horst, Benjamin G., Hulverson, Matthew A., Ferguson, Liam, Jiménez-Díaz, María Belén, Jumani, Rajiv S., Lorimer, Donald D., Love, Melissa S., Maher, Steven, Matthews, Holly, McNamara, Case W., Miller, Peter, O’Neill, Sandra, Ojo, Kayode K., Osuna-Cabello, Maria, Pinto, Erika, Post, John, Riley, Jennifer, Rottmann, Matthias, Sanz, Laura M., Scullion, Paul, Sharma, Arvind, Shepherd, Sharon M., Shishikura, Yoko, Simeons, Frederick R. C., Stebbins, Erin E., Stojanovski, Laste, Straschil, Ursula, Tamaki, Fabio K., Tamjar, Jevgenia, Torrie, Leah S., Vantaux, Amélie, Witkowski, Benoît, Wittlin, Sergio, Yogavel, Manickam, Zuccotto, Fabio, Angulo-Barturen, Iñigo, Sinden, Robert, Baum, Jake, Gamo, Francisco-Javier, Mäser, Pascal, Kyle, Dennis E., Winzeler, Elizabeth A., Myler, Peter J., Wyatt, Paul G., Floyd, David, Matthews, David, Sharma, Amit, Striepen, Boris, Huston, Christopher D., Gray, David W., Fairlamb, Alan H., Pisliakov, Andrei V., Walpole, Chris, Read, Kevin D., Van Voorhis, Wesley C., Gilbert, Ian H.

Volltext

Discovery of 2‑[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro‑1H‑isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP‑1... von Papeo, Gianluca, Posteri, Helena, Borghi, Daniela, Busel, Alina A., Caprera, Francesco, Casale, Elena, Ciomei, Marina, Cirla, Alessandra, Corti, Emiliana, D’Anello, Matteo, Fasolini, Marina, Forte, Barbara, Galvani, Arturo, Isacchi, Antonella, Khvat, Alexander, Krasavin, Mikhail Y., Lupi, Rosita, Orsini, Paolo, Perego, Rita, Pesenti, Enrico, Pezzetta, Daniele, Rainoldi, Sonia, Riccardi-Sirtori, Federico, Scolaro, Alessandra, Sola, Francesco, Zuccotto, Fabio, Felder, Eduard R., Donati, Daniele, Montagnoli, Alessia

Volltext

Instability of aquaglyceroporin (AQP) 2 contributes to drug resistance in Trypanosoma brucei von Quintana, Juan F, Bueren-Calabuig, Juan, Zuccotto, Fabio, de Koning, Harry P, Horn, David, Field, Mark C

Volltext

Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs von Green, Simon R., Davis, Susan H., Damerow, Sebastian, Engelhart, Curtis A., Mathieson, Michael, Baragaña, Beatriz, Robinson, David A., Tamjar, Jevgenia, Dawson, Alice, Tamaki, Fabio K., Buchanan, Kirsteen I., Post, John, Dowers, Karen, Shepherd, Sharon M., Jansen, Chimed, Zuccotto, Fabio, Gilbert, Ian H., Epemolu, Ola, Riley, Jennifer, Stojanovski, Laste, Osuna-Cabello, Maria, Pérez-Herrán, Esther, Rebollo, María José, Guijarro López, Laura, Casado Castro, Patricia, Camino, Isabel, Kim, Heather C., Bean, James M., Nahiyaan, Navid, Rhee, Kyu Y., Wang, Qinglan, Tan, Vee Y., Boshoff, Helena I. M., Converse, Paul J., Li, Si-Yang, Chang, Yong S., Fotouhi, Nader, Upton, Anna M., Nuermberger, Eric L., Schnappinger, Dirk, Read, Kevin D., Encinas, Lourdes, Bates, Robert H., Wyatt, Paul G., Cleghorn, Laura A. T.

Volltext

Identification of inhibitors of an unconventional Trypanosoma brucei kinetochore kinase von Torrie, Leah S, Zuccotto, Fabio, Robinson, David A, Gray, David W, Gilbert, Ian H, De Rycker, Manu

Volltext

Clinical and veterinary trypanocidal benzoxaboroles target CPSF3 von Wall, Richard J., Rico, Eva, Lukac, Iva, Zuccotto, Fabio, Elg, Sara, Gilbert, Ian H., Freund, Yvonne, Alley, M. R. K., Field, Mark C., Wyllie, Susan, Horn, David

Volltext

Accurate prediction of dynamic protein–ligand binding using P‐score ranking von Ibrahim, Peter E. G. F., Zuccotto, Fabio, Zachariae, Ulrich, Gilbert, Ian, Bodkin, Mike

Volltext

DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis von Mowbray, Charles E, Braillard, Stéphanie, Glossop, Paul A, Whitlock, Gavin A, Jacobs, Robert T, Speake, Jason, Pandi, Bharathi, Nare, Bakela, Maes, Louis, Yardley, Vanessa, Freund, Yvonne, Wall, Richard J, Carvalho, Sandra, Bello, Davide, Van den Kerkhof, Magali, Caljon, Guy, Gilbert, Ian H, Corpas-Lopez, Victoriano, Lukac, Iva, Patterson, Stephen, Zuccotto, Fabio, Wyllie, Susan

Volltext

A novel multiple-stage antimalarial agent that inhibits protein synthesis von Baragaña, Beatriz, Hallyburton, Irene, Lee, Marcus C. S., Norcross, Neil R., Grimaldi, Raffaella, Otto, Thomas D., Proto, William R., Blagborough, Andrew M., Meister, Stephan, Wirjanata, Grennady, Ruecker, Andrea, Upton, Leanna M., Abraham, Tara S., Almeida, Mariana J., Pradhan, Anupam, Porzelle, Achim, Martínez, María Santos, Bolscher, Judith M., Woodland, Andrew, Luksch, Torsten, Norval, Suzanne, Zuccotto, Fabio, Thomas, John, Simeons, Frederick, Stojanovski, Laste, Osuna-Cabello, Maria, Brock, Paddy M., Churcher, Tom S., Sala, Katarzyna A., Zakutansky, Sara E., Jiménez-Díaz, María Belén, Sanz, Laura Maria, Riley, Jennifer, Basak, Rajshekhar, Campbell, Michael, Avery, Vicky M., Sauerwein, Robert W., Dechering, Koen J., Noviyanti, Rintis, Campo, Brice, Frearson, Julie A., Angulo-Barturen, Iñigo, Ferrer-Bazaga, Santiago, Gamo, Francisco Javier, Wyatt, Paul G., Leroy, Didier, Siegl, Peter, Delves, Michael J., Kyle, Dennis E., Wittlin, Sergio, Marfurt, Jutta, Price, Ric N., Sinden, Robert E., Winzeler, Elizabeth A., Charman, Susan A., Bebrevska, Lidiya, Gray, David W., Campbell, Simon, Fairlamb, Alan H., Willis, Paul A., Rayner, Julian C., Fidock, David A., Read, Kevin D., Gilbert, Ian H.

Volltext

Cyclin-dependent kinase 12 is a drug target for visceral leishmaniasis von Wyllie, Susan, Thomas, Michael, Patterson, Stephen, Crouch, Sabrinia, De Rycker, Manu, Lowe, Rhiannon, Gresham, Stephanie, Urbaniak, Michael D., Otto, Thomas D., Stojanovski, Laste, Simeons, Frederick R. C., Manthri, Sujatha, MacLean, Lorna M., Zuccotto, Fabio, Homeyer, Nadine, Pflaumer, Hannah, Boesche, Markus, Sastry, Lalitha, Connolly, Paul, Albrecht, Sebastian, Berriman, Matt, Drewes, Gerard, Gray, David W., Ghidelli-Disse, Sonja, Dixon, Susan, Fiandor, Jose M., Wyatt, Paul G., Ferguson, Michael A. J., Fairlamb, Alan H., Miles, Timothy J., Read, Kevin D., Gilbert, Ian H.

Volltext

Instability of aquaglyceroporin (AQP) 2 contributes to drug resistance inTrypanosoma brucei von Quintana, Juan F., Bueren-Calabuig, Juan, Zuccotto, Fabio, de Koning, Harry P., Horn, David, Field, Mark C.

Volltext

Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition von Wyllie, Susan, Brand, Stephen, Thomas, Michael, De Rycker, Manu, Chung, Chun-wa, Pena, Imanol, Bingham, Ryan P., Bueren-Calabuig, Juan A., Cantizani, Juan, Cebrian, David, Craggs, Peter D., Ferguson, Liam, Goswami, Panchali, Hobrath, Judith, Howe, Jonathan, Jeacock, Laura, Ko, Eun-Jung, Korczynska, Justyna, MacLean, Lorna, Manthri, Sujatha, Martinez, Maria S., Mata-Cantero, Lydia, Moniz, Sonia, Nühs, Andrea, Osuna-Cabello, Maria, Pinto, Erika, Riley, Jennifer, Robinson, Sharon, Rowland, Paul, Simeons, Frederick R. C., Shishikura, Yoko, Spinks, Daniel, Stojanovski, Laste, Thomas, John, Thompson, Stephen, Gaza, Elisabet Viayna, Wall, Richard J., Zuccotto, Fabio, Horn, David, Ferguson, Michael A. J., Fairlamb, Alan H., Fiandor, Jose M., Martin, Julio, Gray, David W., Miles, Timothy J., Gilbert, Ian H., Read, Kevin D., Marco, Maria, Wyatt, Paul G.

Volltext

Abstract 4206: EUD-GK-001 is a novel kinase inhibitor with in vitro anti-lymphoma activity von Scalise, Lorenzo, Tarantelli, Chiara, Zuccotto, Fabio, Spriano, Filippo, Mascia, Michele, Cascione, Luciano, Gaudio, Eugenio, Angiolini, Mauro, Bertoni, Francesco

Volltext

SophosQM: Accurate Binding Affinity Prediction in Compound Optimization von Guareschi, Riccardo, Lukac, Iva, Gilbert, Ian H., Zuccotto, Fabio

Volltext

Identification of a Proteasome-Targeting Arylsulfonamide with Potential for the Treatment of Chagas' Disease von Lima, Marta L, Tulloch, Lindsay B, Corpas-Lopez, Victoriano, Carvalho, Sandra, Wall, Richard J, Milne, Rachel, Rico, Eva, Patterson, Stephen, Gilbert, Ian H, Moniz, Sonia, MacLean, Lorna, Torrie, Leah S, Morgillo, Carmine, Horn, David, Zuccotto, Fabio, Wyllie, Susan

Volltext

On‐Chip Screening of a Glycomimetic Library with C‐Type Lectins Reveals Structural Features Responsible for Preferential Binding of Dectin‐2 over DC‐SIGN/R and Langerin von Medve, Laura, Achilli, Silvia, Serna, Sonia, Zuccotto, Fabio, Varga, Norbert, Thépaut, Michel, Civera, Monica, Vivès, Corinne, Fieschi, Franck, Reichardt, Niels, Bernardi, Anna

Volltext

Scaffold-Hopping Strategy on a Series of Proteasome Inhibitors Led to a Preclinical Candidate for the Treatment of Visceral Leishmaniasis von Thomas, Michael, Brand, Stephen, De Rycker, Manu, Zuccotto, Fabio, Lukac, Iva, Dodd, Peter G, Ko, Eun-Jung, Manthri, Sujatha, McGonagle, Kate, Osuna-Cabello, Maria, Riley, Jennifer, Pont, Caterina, Simeons, Frederick, Stojanovski, Laste, Thomas, John, Thompson, Stephen, Viayna, Elisabet, Fiandor, Jose M, Martin, Julio, Wyatt, Paul G, Miles, Timothy J, Read, Kevin D, Marco, Maria, Gilbert, Ian H

Volltext

Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity von Green, Simon R, Wilson, Caroline, Eadsforth, Thomas C, Punekar, Avinash S, Tamaki, Fabio K, Wood, Gavin, Caldwell, Nicola, Forte, Barbara, Norcross, Neil R, Kiczun, Michael, Post, John M, Lopez-Román, Eva Maria, Engelhart, Curtis A, Lukac, Iva, Zuccotto, Fabio, Epemolu, Ola, Boshoff, Helena I M, Schnappinger, Dirk, Walpole, Chris, Gilbert, Ian H, Read, Kevin D, Wyatt, Paul G, Baragaña, Beatriz

Volltext