Search results

  • 2024

    AI is a viable alternative to high throughput screening: a 318-target study

    Wallach, I., Bernard, D., Nguyen, K., Ho, G., Morrison, A., Stecula, A., Rosnik, A., O’Sullivan, A. M., Davtyan, A., Samudio, B., Thomas, B., Worley, B., Butler, B., Laggner, C., Thayer, D., Moharreri, E., Friedland, G., Truong, H., van den Bedem, H. & Ng, H. L. & 667 others, Stafford, K., Sarangapani, K., Giesler, K., Ngo, L., Mysinger, M., Ahmed, M., Anthis, N. J., Henriksen, N., Gniewek, P., Eckert, S., de Oliveira, S., Suterwala, S., PrasadPrasad, S. V. K., Shek, S., Contreras, S., Hare, S., Palazzo, T., O’Brien, T. E., Van Grack, T., Williams, T., Chern, T. R., Kenyon, V., Lee, A. H., Cann, A. B., Bergman, B., Anderson, B. M., Cox, B. D., Warrington, J. M., Sorenson, J. M., Goldenberg, J. M., Young, M. A., DeHaan, N., Pemberton, R. P., Schroedl, S., Abramyan, T. M., Gupta, T., Mysore, V., Presser, A. G., Ferrando, A. A., Andricopulo, A. D., Ghosh, A., Ayachi, A. G., Mushtaq, A., Shaqra, A. M., Toh, A. K. L., Smrcka, A. V., Ciccia, A., de Oliveira, A. S., Sverzhinsky, A., de Sousa, A. M., Agoulnik, A. I., Kushnir, A., Freiberg, A. N., Statsyuk, A. V., Gingras, A. R., Degterev, A., Tomilov, A., Vrielink, A., Garaeva, A. A., Bryant-Friedrich, A., Caflisch, A., Patel, A. K., Rangarajan, A. V., Matheeussen, A., Battistoni, A., Caporali, A., Chini, A., Ilari, A., Mattevi, A., Foote, A. T., Trabocchi, A., Stahl, A., Herr, A. B., Berti, A., Freywald, A., Reidenbach, A. G., Lam, A., Cuddihy, A. R., White, A., Taglialatela, A., Ojha, A. K., Cathcart, A. M., Motyl, A. A. L., Borowska, A., D’Antuono, A., Hirsch, A. K. H., Porcelli, A. M., Minakova, A., Montanaro, A., Müller, A., Fiorillo, A., Virtanen, A., O’Donoghue, A. J., Del Rio Flores, A., Garmendia, A. E., Pineda-Lucena, A., Panganiban, A. T., Samantha, A., Chatterjee, A. K., Haas, A. L., Paparella, A. S., John, A. L. S., Prince, A., ElSheikh, A., Apfel, A. M., Colomba, A., O’Dea, A., Diallo, B. N., Ribeiro, B. M. R. M., Bailey-Elkin, B. A., Edelman, B. L., Liou, B., Perry, B., Chua, B. S. K., Kováts, B., Englinger, B., Balakrishnan, B., Gong, B., Agianian, B., Pressly, B., Salas, B. P. M., Duggan, B. M., Geisbrecht, B. V., Dymock, B. W., Morten, B. C., Hammock, B. D., Mota, B. E. F., Dickinson, B. C., Fraser, C., Lempicki, C., Novina, C. D., Torner, C., Ballatore, C., Bon, C., Chapman, C. J., Partch, C. L., Chaton, C. T., Huang, C., Yang, C. Y., Kahler, C. M., Karan, C., Keller, C., Dieck, C. L., Huimei, C., Liu, C., Peltier, C., Mantri, C. K., Kemet, C. M., Müller, C. E., Weber, C., Zeina, C. M., Muli, C. S., Morisseau, C., Alkan, C., Reglero, C., Loy, C. A., Wilson, C. M., Myhr, C., Arrigoni, C., Paulino, C., Santiago, C., Luo, D., Tumes, D. J., Keedy, D. A., Lawrence, D. A., Chen, D., Manor, D., Trader, D. J., Hildeman, D. A., Drewry, D. H., Dowling, D. J., Hosfield, D. J., Smith, D. M., Moreira, D., Siderovski, D. P., Shum, D., Krist, D. T., Riches, D. W. H., Ferraris, D. M., Anderson, D. H., Coombe, D. R., Welsbie, D. S., Hu, D., Ortiz, D., Alramadhani, D., Zhang, D., Chaudhuri, D., Slotboom, D. J., Ronning, D. R., Lee, D., Dirksen, D., Shoue, D. A., Zochodne, D. W., Krishnamurthy, D., Duncan, D., Glubb, D. M., Gelardi, E. L. M., Hsiao, E. C., Lynn, E. G., Silva, E. B., Aguilera, E., Lenci, E., Abraham, E. T., Lama, E., Mameli, E., Leung, E., Christensen, E. M., Mason, E. R., Petretto, E., Trakhtenberg, E. F., Rubin, E. J., Strauss, E., Thompson, E. W., Cione, E., Lisabeth, E. M., Fan, E., Kroon, E. G., Jo, E., García-Cuesta, E. M., Glukhov, E., Gavathiotis, E., Yu, F., Xiang, F., Leng, F., Wang, F., Ingoglia, F., van den Akker, F., Borriello, F., Vizeacoumar, F. J., Luh, F., Buckner, F. S., Vizeacoumar, F. S., Bdira, F. B., Svensson, F., Rodriguez, G. M., Bognár, G., Lembo, G., Zhang, G., Dempsey, G., Eitzen, G., Mayer, G., Greene, G. L., Garcia, G. A., Lukacs, G. L., Prikler, G., Parico, G. C. G., Colotti, G., De Keulenaer, G., Cortopassi, G., Roti, G., Girolimetti, G., Fiermonte, G., Gasparre, G., Leuzzi, G., Dahal, G., Michlewski, G., Conn, G. L., Stuchbury, G. D., Bowman, G. R., Popowicz, G. M., Veit, G., de Souza, G. E., Akk, G., Caljon, G., Alvarez, G., Rucinski, G., Lee, G., Cildir, G., Li, H., Breton, H. E., Jafar-Nejad, H., Zhou, H., Moore, H. P., Tilford, H., Yuan, H., Shim, H., Wulff, H., Hoppe, H., Chaytow, H., Tam, H. K., Van Remmen, H., Xu, H., Debonsi, H. M., Lieberman, H. B., Jung, H., Fan, H. Y., Feng, H., Zhou, H., Kim, H. J., Greig, I. R., Caliandro, I., Corvo, I., Arozarena, I., Mungrue, I. N., Verhamme, I. M., Qureshi, I. A., Lotsaris, I., Cakir, I., Perry, J. J. P., Kwiatkowski, J., Boorman, J., Ferreira, J., Fries, J., Kratz, J. M., Miner, J., Siqueira-Neto, J. L., Granneman, J. G., Ng, J., Shorter, J., Voss, J. H., Gebauer, J. M., Chuah, J., Mousa, J. J., Maynes, J. T., Evans, J. D., Dickhout, J., MacKeigan, J. P., Jossart, J. N., Zhou, J., Lin, J., Xu, J., Wang, J., Zhu, J., Liao, J., Xu, J., Zhao, J., Lin, J., Lee, J., Reis, J., Stetefeld, J., Bruning, J. B., Bruning, J. B., Coles, J. G., Tanner, J. J., Pascal, J. M., So, J., Pederick, J. L., Costoya, J. A., Rayman, J. B., Maciag, J. J., Nasburg, J. A., Gruber, J. J., Finkelstein, J. M., Watkins, J., Rodríguez-Frade, J. M., Arias, J. A. S., Lasarte, J. J., Oyarzabal, J., Milosavljevic, J., Cools, J., Lescar, J., Bogomolovas, J., Wang, J., Kee, J. M., Liao, J., Sistla, J. C., Abrahão, J. S., Sishtla, K., Francisco, K. R., Hansen, K. B., Molyneaux, K. A., Cunningham, K. A., Martin, K. R., Gadar, K., Ojo, K. K., Wong, K. S., Wentworth, K. L., Lai, K., Lobb, K. A., Hopkins, K. M., Parang, K., Machaca, K., Pham, K., Ghilarducci, K., Sugamori, K. S., McManus, K. J., Musta, K., Faller, K. M. E., Nagamori, K., Mostert, K. J., Korotkov, K. V., Liu, K., Smith, K. S., Sarosiek, K., Rohde, K. H., Kim, K. K., Lee, K. H., Pusztai, L., Lehtiö, L., Haupt, L. M., Cowen, L. E., Byrne, L. J., Su, L., Wert-Lamas, L., Puchades-Carrasco, L., Chen, L., Malkas, L. H., Zhuo, L., Hedstrom, L., Hedstrom, L., Walensky, L. D., Antonelli, L., Iommarini, L., Whitesell, L., Randall, L. M., Fathallah, M. D., Nagai, M. H., Kilkenny, M. L., Ben-Johny, M., Lussier, M. P., Windisch, M. P., Lolicato, M., Lolli, M. L., Vleminckx, M., Caroleo, M. C., Macias, M. J., Valli, M., Barghash, M. M., Mellado, M., Tye, M. A., Wilson, M. A., Hannink, M., Ashton, M. R., Cerna, M. V. C. D., Giorgis, M., Safo, M. K., Maurice, M. S., McDowell, M. A., Pasquali, M., Mehedi, M., Serafim, M. S. M., Soellner, M. B., Alteen, M. G., Champion, M. M., Skorodinsky, M., O’Mara, M. L., Bedi, M., Rizzi, M., Levin, M., Mowat, M., Jackson, M. R., Paige, M., Al-Yozbaki, M., Giardini, M. A., Maksimainen, M. M., De Luise, M., Hussain, M. S., Christodoulides, M., Stec, N., Zelinskaya, N., Van Pelt, N., Merrill, N. M., Singh, N., Kootstra, N. A., Singh, N., Gandhi, N. S., Chan, N. L., Trinh, N. M., Schneider, N. O., Matovic, N., Horstmann, N., Longo, N., Bharambe, N., Rouzbeh, N., Mahmoodi, N., Gumede, N. J., Anastasio, N. C., Khalaf, N. B., Rabal, O., Kandror, O., Escaffre, O., Silvennoinen, O., Bishop, O. T., Iglesias, P., Sobrado, P., Chuong, P., O’Connell, P., Martin-Malpartida, P., Mellor, P., Fish, P. V., Moreira, P. O. L., Zhou, P., Liu, P., Liu, P., Wu, P., Agogo-Mawuli, P., Jones, P. L., Ngoi, P., Toogood, P., Ip, P., von Hundelshausen, P., Lee, P. H., Rowswell-Turner, R. B., Balaña-Fouce, R., Rocha, R. E. O., Guido, R. V. C., Ferreira, R. S., Agrawal, R. K., Harijan, R. K., Ramachandran, R., Verma, R., Singh, R. K., Tiwari, R. K., Mazitschek, R., Koppisetti, R. K., Dame, R. T., Douville, R. N., Austin, R. C., Taylor, R. E., Moore, R. G., Ebright, R. H., Angell, R. M., Yan, R., Kejriwal, R., Batey, R. A., Blelloch, R., Vandenberg, R. J., Hickey, R. J., Kelm, R. J., Lake, R. J., Bradley, R. K., Blumenthal, R. M., Solano, R., Gierse, R. M., Viola, R. E., McCarthy, R. R., Reguera, R. M., Uribe, R. V., do Monte-Neto, R. L., Gorgoglione, R., Cullinane, R. T., Katyal, S., Hossain, S., Phadke, S., Shelburne, S. A., Geden, S. E., Johannsen, S., Wazir, S., Legare, S., Landfear, S. M., Radhakrishnan, S. K., Ammendola, S., Dzhumaev, S., Seo, S. Y., Li, S., Zhou, S., Chu, S., Chauhan, S., Maruta, S., Ashkar, S. R., Shyng, S. L., Conticello, S. G., Buroni, S., Garavaglia, S., White, S. J., Zhu, S., Tsimbalyuk, S., Chadni, S. H., Byun, S. Y., Park, S., Xu, S. Q., Banerjee, S., Zahler, S., Espinoza, S., Gustincich, S., Sainas, S., Celano, S. L., Capuzzi, S. J., Waggoner, S. N., Poirier, S., Olson, S. H., Marx, S. O., Van Doren, S. R., Sarilla, S., Brady-Kalnay, S. M., Dallman, S., Azeem, S. M., Teramoto, T., Mehlman, T., Swart, T., Abaffy, T., Akopian, T., Haikarainen, T., Moreda, T. L., Ikegami, T., Teixeira, T. R., Jayasinghe, T. D., Gillingwater, T. H., Kampourakis, T., Richardson, T. I., Herdendorf, T. J., Kotzé, T. J., O’Meara, T. R., Corson, T. W., Hermle, T., Ogunwa, T. H., Lan, T., Su, T., Banjo, T., O’Mara, T. A., Chou, T., Chou, T. F., Baumann, U., Desai, U. R., Pai, V. P., Thai, V. C., Tandon, V., Banerji, V., Robinson, V. L., Gunasekharan, V., Namasivayam, V., Segers, V. F. M., Maranda, V., Dolce, V., Maltarollo, V. G., Scoffone, V. C., Woods, V. A., Ronchi, V. P., Van Hung Le, V., Clayton, W. B., Lowther, W. T., Houry, W. A., Li, W., Tang, W., Zhang, W., Van Voorhis, W. C., Donaldson, W. A., Hahn, W. C., Kerr, W. G., Gerwick, W. H., Bradshaw, W. J., Foong, W. E., Blanchet, X., Wu, X., Lu, X., Qi, X., Xu, X., Yu, X., Qin, X., Wang, X., Yuan, X., Zhang, X., Zhang, Y. J., Hu, Y., Aldhamen, Y. A., Chen, Y., Li, Y., Sun, Y., Zhu, Y., Gupta, Y. K., Pérez-Pertejo, Y., Li, Y., Tang, Y., He, Y., Tse-Dinh, Y. C., Sidorova, Y. A., Yen, Y., Li, Y., Frangos, Z. J., Chung, Z., Su, Z., Wang, Z., Zhang, Z., Liu, Z., Inde, Z., Artía, Z. & Heifets, A., Dec 2024, In: Scientific Reports. 14, 1, 7526.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • AI is a viable alternative to high throughput screening: a 318-target study

    null, N., Wallach, I., Bernard, D., Nguyen, K., Ho, G., Morrison, A., Stecula, A., Rosnik, A., O’Sullivan, A. M., Davtyan, A., Samudio, B., Thomas, B., Worley, B., Butler, B., Laggner, C., Thayer, D., Moharreri, E., Friedland, G., Truong, H. & van den Bedem, H. & 669 others, Ng, H. L., Stafford, K., Sarangapani, K., Giesler, K., Ngo, L., Mysinger, M., Ahmed, M., Anthis, N. J., Henriksen, N., Gniewek, P., Eckert, S., de Oliveira, S., Suterwala, S., PrasadPrasad, S. V. K., Shek, S., Contreras, S., Hare, S., Palazzo, T., O’Brien, T. E., Van Grack, T., Williams, T., Chern, T.-R., Kenyon, V., Lee, A. H., Cann, A. B., Bergman, B., Anderson, B. M., Cox, B. D., Warrington, J. M., Sorenson, J. M., Goldenberg, J. M., Young, M. A., DeHaan, N., Pemberton, R. P., Schroedl, S., Abramyan, T. M., Gupta, T., Mysore, V., Presser, A. G., Ferrando, A. A., Andricopulo, A. D., Ghosh, A., Ayachi, A. G., Mushtaq, A., Shaqra, A. M., Toh, A. K. L., Smrcka, A. V., Ciccia, A., de Oliveira, A. S., Sverzhinsky, A., de Sousa, A. M., Agoulnik, A. I., Kushnir, A., Freiberg, A. N., Statsyuk, A. V., Gingras, A. R., Degterev, A., Tomilov, A., Vrielink, A., Garaeva, A. A., Bryant-Friedrich, A., Caflisch, A., Patel, A. K., Rangarajan, A. V., Matheeussen, A., Battistoni, A., Caporali, A., Chini, A., Ilari, A., Mattevi, A., Foote, A. T., Trabocchi, A., Stahl, A., Herr, A. B., Berti, A., Freywald, A., Reidenbach, A. G., Lam, A., Cuddihy, A. R., White, A., Taglialatela, A., Ojha, A. K., Cathcart, A. M., Motyl, A. A. L., Borowska, A., D’Antuono, A., Hirsch, A. K. H., Porcelli, A. M., Minakova, A., Montanaro, A., Müller, A., Fiorillo, A., Virtanen, A., O’Donoghue, A. J., Del Rio Flores, A., Garmendia, A. E., Pineda-Lucena, A., Panganiban, A. T., Samantha, A., Chatterjee, A. K., Haas, A. L., Paparella, A. S., John, A. L. S., Prince, A., ElSheikh, A., Apfel, A. M., Colomba, A., O’Dea, A., Diallo, B. N., Ribeiro, B. M. R. M., Bailey-Elkin, B. A., Edelman, B. L., Liou, B., Perry, B., Chua, B. S. K., Kováts, B., Englinger, B., Balakrishnan, B., Gong, B., Agianian, B., Pressly, B., Salas, B. P. M., Duggan, B. M., Geisbrecht, B. V., Dymock, B. W., Morten, B. C., Hammock, B. D., Mota, B. E. F., Dickinson, B. C., Fraser, C., Lempicki, C., Novina, C. D., Torner, C., Ballatore, C., Bon, C., Chapman, C. J., Partch, C. L., Chaton, C. T., Huang, C., Yang, C.-Y., Kahler, C. M., Karan, C., Keller, C., Dieck, C. L., Huimei, C., Liu, C., Peltier, C., Mantri, C. K., Kemet, C. M., Müller, C. E., Weber, C., Zeina, C. M., Muli, C. S., Morisseau, C., Alkan, C., Reglero, C., Loy, C. A., Wilson, C. M., Myhr, C., Arrigoni, C., Paulino, C., Santiago, C., Luo, D., Tumes, D. J., Keedy, D. A., Lawrence, D. A., Chen, D., Manor, D., Trader, D. J., Hildeman, D. A., Drewry, D. H., Dowling, D. J., Hosfield, D. J., Smith, D. M., Moreira, D., Siderovski, D. P., Shum, D., Krist, D. T., Riches, D. W. H., FERRARIS, D. M., Anderson, D. H., Coombe, D. R., Welsbie, D. S., Hu, D., Ortiz, D., Alramadhani, D., Zhang, D., Chaudhuri, D., Slotboom, D. J., Ronning, D. R., Lee, D., Dirksen, D., Shoue, D. A., Zochodne, D. W., Krishnamurthy, D., Duncan, D., Glubb, D. M., Gelardi, E. L. M., Hsiao, E. C., Lynn, E. G., Silva, E. B., Aguilera, E., Lenci, E., Abraham, E. T., Lama, E., Mameli, E., Leung, E., Christensen, E. M., Mason, E. R., Petretto, E., Trakhtenberg, E. F., Rubin, E. J., Strauss, E., Thompson, E. W., Cione, E., Lisabeth, E. M., Fan, E., Kroon, E. G., Jo, E., García-Cuesta, E. M., Glukhov, E., Gavathiotis, E., Yu, F., Xiang, F., Leng, F., Wang, F., Ingoglia, F., van den Akker, F., Borriello, F., Vizeacoumar, F. J., Luh, F., Buckner, F. S., Vizeacoumar, F. S., Bdira, F. B., Svensson, F., Rodriguez, G. M., Bognár, G., Lembo, G., Zhang, G., Dempsey, G., Eitzen, G., Mayer, G., Greene, G. L., Garcia, G. A., Lukacs, G. L., Prikler, G., Parico, G. C. G., Colotti, G., De Keulenaer, G., Cortopassi, G., Roti, G., Girolimetti, G., Fiermonte, G., Gasparre, G., Leuzzi, G., Dahal, G., Michlewski, G., Conn, G. L., Stuchbury, G. D., Bowman, G. R., Popowicz, G. M., Veit, G., de Souza, G. E., Akk, G., Caljon, G., Alvarez, G., Rucinski, G., Lee, G., Cildir, G., Li, H., Breton, H. E., Jafar-Nejad, H., Zhou, H., Moore, H. P., Tilford, H., Yuan, H., Shim, H., Wulff, H., Hoppe, H., Chaytow, H., Tam, H.-K., Van Remmen, H., Xu, H., Debonsi, H. M., Lieberman, H. B., Jung, H., Fan, H.-Y., Feng, H., Zhou, H., Kim, H. J., Greig, I. R., Caliandro, I., Corvo, I., Arozarena, I., Mungrue, I. N., Verhamme, I. M., Qureshi, I. A., Lotsaris, I., Cakir, I., Perry, J. J. P., Kwiatkowski, J., Boorman, J., Ferreira, J., Fries, J., Kratz, J. M., Miner, J., Siqueira-Neto, J. L., Granneman, J. G., Ng, J., Shorter, J., Voss, J. H., Gebauer, J. M., Chuah, J., Mousa, J. J., Maynes, J. T., Evans, J. D., Dickhout, J., MacKeigan, J. P., Jossart, J. N., Zhou, J., Lin, J., Xu, J., Wang, J., Zhu, J., Liao, J., Xu, J., Zhao, J., Lin, J., Lee, J., Reis, J., Stetefeld, J., Bruning, J. B., Bruning, J. B., Coles, J. G., Tanner, J. J., Pascal, J. M., So, J., Pederick, J. L., Costoya, J. A., Rayman, J. B., Maciag, J. J., Nasburg, J. A., Gruber, J. J., Finkelstein, J. M., Watkins, J., Rodríguez-Frade, J. M., Arias, J. A. S., Lasarte, J. J., Oyarzabal, J., Milosavljevic, J., Cools, J., Lescar, J., Bogomolovas, J., Wang, J., Kee, J.-M., Kee, J.-M., Liao, J., Sistla, J. C., Abrahão, J. S., Sishtla, K., Francisco, K. R., Hansen, K. B., Molyneaux, K. A., Cunningham, K. A., Martin, K. R., Gadar, K., Ojo, K. K., Wong, K. S., Wentworth, K. L., Lai, K., Lobb, K. A., Hopkins, K. M., Parang, K., Machaca, K., Pham, K., Ghilarducci, K., Sugamori, K. S., McManus, K. J., Musta, K., Faller, K. M. E., Nagamori, K., Mostert, K. J., Korotkov, K. V., Liu, K., Smith, K. S., Sarosiek, K., Rohde, K. H., Kim, K. K., Lee, K. H., Pusztai, L., Lehtiö, L., Haupt, L. M., Cowen, L. E., Byrne, L. J., Su, L., Wert-Lamas, L., Puchades-Carrasco, L., Chen, L., Malkas, L. H., Zhuo, L., Hedstrom, L., Hedstrom, L., Walensky, L. D., Antonelli, L., Iommarini, L., Whitesell, L., Randall, L. M., Fathallah, M. D., Nagai, M. H., Kilkenny, M. L., Ben-Johny, M., Lussier, M. P., Windisch, M. P., Lolicato, M., Lolli, M. L., Vleminckx, M., Caroleo, M. C., Macias, M. J., Valli, M., Barghash, M. M., Mellado, M., Tye, M. A., Wilson, M. A., Hannink, M., Ashton, M. R., Cerna, M. V. C. D., Giorgis, M., Safo, M. K., Maurice, M. S., McDowell, M. A., Pasquali, M., Mehedi, M., Serafim, M. S. M., Soellner, M. B., Alteen, M. G., Champion, M. M., Skorodinsky, M., O’Mara, M. L., Bedi, M., RIZZI, M., Levin, M., Mowat, M., Jackson, M. R., Paige, M., Al-Yozbaki, M., Giardini, M. A., Maksimainen, M. M., De Luise, M., Hussain, M. S., Christodoulides, M., Stec, N., Zelinskaya, N., Van Pelt, N., Merrill, N. M., Singh, N., Kootstra, N. A., Singh, N., Gandhi, N. S., Chan, N.-L., Trinh, N. M., Schneider, N. O., Matovic, N., Horstmann, N., Longo, N., Bharambe, N., Rouzbeh, N., Mahmoodi, N., Gumede, N. J., Anastasio, N. C., Khalaf, N. B., Rabal, O., Kandror, O., Escaffre, O., Silvennoinen, O., Bishop, O. T., Iglesias, P., Sobrado, P., Chuong, P., O’Connell, P., Martin-Malpartida, P., Mellor, P., Fish, P. V., Moreira, P. O. L., Zhou, P., Liu, P., Liu, P., Wu, P., Agogo-Mawuli, P., Jones, P. L., Ngoi, P., Toogood, P., Ip, P., von Hundelshausen, P., Lee, P. H., Rowswell-Turner, R. B., Balaña-Fouce, R., Rocha, R. E. O., Guido, R. V. C., Ferreira, R. S., Agrawal, R. K., Harijan, R. K., Ramachandran, R., Verma, R., Singh, R. K., Tiwari, R. K., Mazitschek, R., Koppisetti, R. K., Dame, R. T., Douville, R. N., Austin, R. C., Taylor, R. E., Moore, R. G., Ebright, R. H., Angell, R. M., Yan, R., Kejriwal, R., Batey, R. A., Blelloch, R., Vandenberg, R. J., Hickey, R. J., Kelm, R. J., Lake, R. J., Bradley, R. K., Blumenthal, R. M., Solano, R., Gierse, R. M., Viola, R. E., McCarthy, R. R., Reguera, R. M., Uribe, R. V., do Monte-Neto, R. L., Gorgoglione, R., Cullinane, R. T., Katyal, S., Hossain, S., Phadke, S., Shelburne, S. A., Geden, S. E., Johannsen, S., Wazir, S., Legare, S., Landfear, S. M., Radhakrishnan, S. K., Ammendola, S., Dzhumaev, S., Seo, S.-Y., Li, S., Zhou, S., Chu, S., Chauhan, S., Maruta, S., Ashkar, S. R., Shyng, S.-L., Conticello, S. G., Buroni, S., GARAVAGLIA, S., White, S. J., Zhu, S., Tsimbalyuk, S., Chadni, S. H., Byun, S. Y., Park, S., Xu, S. Q., Banerjee, S., Zahler, S., Espinoza, S., Gustincich, S., Sainas, S., Celano, S. L., Capuzzi, S. J., Waggoner, S. N., Poirier, S., Olson, S. H., Marx, S. O., Van Doren, S. R., Sarilla, S., Brady-Kalnay, S. M., Dallman, S., Azeem, S. M., Teramoto, T., Mehlman, T., Swart, T., Abaffy, T., Akopian, T., Haikarainen, T., Moreda, T. L., Ikegami, T., Teixeira, T. R., Jayasinghe, T. D., Gillingwater, T. H., Kampourakis, T., Richardson, T. I., Herdendorf, T. J., Kotzé, T. J., O’Meara, T. R., Corson, T. W., Hermle, T., Ogunwa, T. H., Lan, T., Su, T., Banjo, T., O’Mara, T. A., Chou, T., Chou, T.-F., Baumann, U., Desai, U. R., Pai, V. P., Thai, V. C., Tandon, V., Banerji, V., Robinson, V. L., Gunasekharan, V., Namasivayam, V., Segers, V. F. M., Maranda, V., Dolce, V., Maltarollo, V. G., Scoffone, V. C., Woods, V. A., Ronchi, V. P., Van Hung Le, V., Clayton, W. B., Lowther, W. T., Houry, W. A., Li, W., Tang, W., Zhang, W., Van Voorhis, W. C., Donaldson, W. A., Hahn, W. C., Kerr, W. G., Gerwick, W. H., Bradshaw, W. J., Foong, W. E., Blanchet, X., Wu, X., Lu, X., Qi, X., Xu, X., Yu, X., Qin, X., Wang, X., Yuan, X., Zhang, X., Zhang, Y. J., Hu, Y., Aldhamen, Y. A., Chen, Y., Li, Y., Sun, Y., Zhu, Y., Gupta, Y. K., Pérez-Pertejo, Y., Li, Y., Tang, Y., He, Y., Tse-Dinh, Y.-C., Sidorova, Y. A., Yen, Y., Li, Y., Frangos, Z. J., Chung, Z., Su, Z., Wang, Z., Zhang, Z., Liu, Z., Inde, Z., Artía, Z. & Heifets, A., 2024, In: Scientific Reports. 14, 1

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • An alternative conformation of the N-terminal loop of human dihydroorotate dehydrogenase drives binding to a potent antiproliferative agent

    Alberti, M., Poli, G., Broggini, L., Sainas, S., RIZZI, M., Boschi, D., FERRARIS, D. M., Martino, E., Ricagno, S., Tuccinardi, T., Lolli, M. L. & MIGGIANO, R., 2024, In: ACTA CRYSTALLOGRAPHICA. SECTION D, STRUCTURAL BIOLOGY. 80, 6

    Research output: Contribution to journalArticlepeer-review

  • 2023

    Biochemical characterization of Mycobacterium tuberculosis dihydroorotate dehydrogenase and identification of a selective inhibitor

    Alberti, M., Sainas, S., Ronchi, E., Lolli, M. L., Boschi, D., RIZZI, M., FERRARIS, D. M. & MIGGIANO, R., 2023, In: FEBS Letters.

    Research output: Contribution to journalArticlepeer-review

  • Cryo-EM-based structural investigation of Mycobacterium tuberculosis Nucleotide Excision Repair

    Marianna, G., Antonio, C., Martino, B., ROSSI, F., RIZZI, M. & MIGGIANO, R., 2023.

    Research output: Contribution to conferencePaperpeer-review

  • Cryo-EM-based structural investigation of Mycobacterium tuberculosis Nucleotide Excision Repair

    Genta, M., Chaves, A., Bolognesi, M., ROSSI, F., RIZZI, M. & MIGGIANO, R., 2023.

    Research output: Contribution to conferencePosterpeer-review

  • Nucleotide Excision Repair in Mycobacterium tuberculosis: a Cryo-EM snapshot of the damage recognition process

    Marianna, G., Antonio, C., Martino, B., ROSSI, F., RIZZI, M. & MIGGIANO, R., 2023.

    Research output: Contribution to conferencePaperpeer-review

  • 2022

    Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues

    Esposito Verza, A., Miggiano, R., Lombardo, F., Fiorillo, C., Arcà, B., Purghé, B., Del Grosso, E., Galli, U., Rizzi, M. & Rossi, F., Jan 2022, In: Current Research in Structural Biology. 4, p. 246-255 10 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Curcumin-based-fluorescent probes targeting ALDH1A3 as a promising tool for glioblastoma precision surgery and early diagnosis

    Gelardi, E. L. M., Caprioglio, D., Colombo, G., Del Grosso, E., Mazzoletti, D., Mattoteia, D., Salamone, S., Ferraris, D. M., Aronica, E., Nato, G., Buffo, A., Rizzi, M., Magrassi, L., Minassi, A. & Garavaglia, S., Dec 2022, In: Communications Biology. 5, 1, 895.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold: SAR of the Aryloxyaryl Moiety

    Sainas, S., Giorgis, M., Circosta, P., Poli, G., Alberti, M., Passoni, A., Gaidano, V., Pippione, A. C., Vitale, N., Bonanni, D., Rolando, B., Cignetti, A., Ramondetti, C., Lanno, A., Ferraris, D. M., Canepa, B., Buccinnà, B., Piccinini, M., Rizzi, M. & Saglio, G. & 5 others, Al-Karadaghi, S., Boschi, D., Miggiano, R., Tuccinardi, T. & Lolli, M. L., 13 Oct 2022, In: Journal of Medicinal Chemistry. 65, 19, p. 12701-12724 24 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Open Access
  • 2021

    A selective competitive inhibitor of aldehyde dehydrogenase 1A3 hinders cancer cell growth, invasiveness and stemness in vitro

    Gelardi, E. L. M., Colombo, G., Picarazzi, F., FERRARIS, D. M., Mangione, A., Petrarolo, G., Aronica, E., RIZZI, M., Mori, M., La, M. C. & GARAVAGLIA, S., 2021, In: Cancers. 13, 2, p. 1-20 20 p.

    Research output: Contribution to journalArticlepeer-review

  • A specific inhibitor of ALDH1A3 regulates retinoic acid biosynthesis in glioma stem cells

    Li, J., Garavaglia, S., Ye, Z., Moretti, A., Belyaeva, O. V., Beiser, A., Ibrahim, M., Wilk, A., McClellan, S., Klyuyeva, A. V., Goggans, K. R., Kedishvili, N. Y., Salter, E. A., Wierzbicki, A., Migaud, M. E., Mullett, S. J., Yates, N. A., Camacho, C. J., Rizzi, M. & Sobol, R. W., Dec 2021, In: Communications Biology. 4, 1, 1420.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • The harmonization of World Health Organization International Nonproprietary Names definitions for cell and cell-based gene therapy substances: when a name is not enough

    Loizides, U., Dominici, M., Manderson, T., Rizzi, M., Robertson, J. S., de Sousa Guimarães Koch, S., Timón, M. & Balocco, R., May 2021, In: Cytotherapy. 23, 5, p. 357-366 10 p.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
  • 2020

    A nicotinamide phosphoribosyltransferase–GAPDH interaction sustains the stress-induced NMN/NAD+ salvage pathway in the nucleus

    GROLLA, A., MIGGIANO, R., Di Marino, D., Bianchi, M., Gori, A., Orsomando, G., Gaudino, F., GALLI, U., DEL GROSSO, E., Mazzola, F., Angeletti, C., Guarneri, M., Torretta, S., Calabrò, M., Boumya, S., Fan, X., Colombo, G., Travelli, C., Rocchio, F. & Aronica, E. & 5 others, Wohlschlegel, J. A., Deaglio, S., RIZZI, M., Genazzani, A. & GARAVAGLIA, S., 2020, In: THE JOURNAL OF BIOLOGICAL CHEMISTRY. p. jbc.RA119.010571

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • European education corridors: opportunity for academic solidarity

    Gaidano, G., Balocco, R., Essa, W. A., Turolla, A., Barbato, R., Dianzani, U., Rizzi, M. & Ravinetto, R., 25 Apr 2020, In: The Lancet. 395, 10233, p. 1343 1 p.

    Research output: Contribution to journalLetterpeer-review

    Open Access
  • Extracellular NAD+ enhances PARP-dependent DNA repair capacity independently of CD73 activity

    Wilk, A., Hayat, F., Cunningham, R., Li, J., Garavaglia, S., Zamani, L., Ferraris, D. M., Sykora, P., Andrews, J., Clark, J., Davis, A., Chaloin, L., Rizzi, M., Migaud, M. & Sobol, R. W., 1 Dec 2020, In: Scientific Reports. 10, 1, 651.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Mycobacterium tuberculosis pathogenesis, infection prevention and treatment

    Miggiano, R., Rizzi, M. & Ferraris, D. M., May 2020, In: Pathogens. 9, 5, 385.

    Research output: Contribution to journalEditorial

    Open Access
  • Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2-a]pyridines against the 1A Family

    Quattrini, L., Gelardi, E. L. M., Petrarolo, G., Colombo, G., FERRARIS, D. M., Picarazzi, F., RIZZI, M., GARAVAGLIA, S. & La Motta, C., 2020, In: ACS Medicinal Chemistry Letters.

    Research output: Contribution to journalArticlepeer-review

  • Targeting genome integrity in mycobacterium tuberculosis: From nucleotide synthesis to DNA replication and repair

    Miggiano, R., Morrone, C., Rossi, F. & Rizzi, M., 7 Mar 2020, In: Molecules. 25, 5, molecules25051205.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
  • Targeting NAD-dependent dehydrogenases in drug discovery against infectious diseases and cancer

    Ferraris, D. M., Gelardi, E. L. M., Garavaglia, S., Miggiano, R. & Rizzi, M., Apr 2020, In: Biochemical Society Transactions. 48, 2, p. 693-707 15 p.

    Research output: Contribution to journalReview articlepeer-review

  • 2019
  • Study of Anopheles gambiae 3-hydroxykynurenine transaminase activity and inhibition by LC-MS/MS method

    Canavesi, R., Miggiano, R., Stella, M., Galli, U., Rossi, F., Rizzi, M. & Del Grosso, E., 5 Sept 2019, In: Journal of Pharmaceutical and Biomedical Analysis. 173, p. 154-161 8 p.

    Research output: Contribution to journalArticlepeer-review

  • Synthesis and Structure–Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH

    Singh, V., Pacitto, A., Donini, S., Ferraris, D. M., Boros, S., Illyés, E., Szokol, B., Rizzi, M., Blundell, T. L., Ascher, D. B., Pato, J. & Mizrahi, V., 15 Jul 2019, In: European Journal of Medicinal Chemistry. 174, p. 309-329 21 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • The INN global nomenclature of biological medicines: A continuous challenge

    Robertson, J. S., Chui, W. K., Genazzani, A. A., Malan, S. F., López de la Rica Manjavacas, A., Mignot, G., Thorpe, R., Balocco, R. & Rizzi, M., Jul 2019, In: Biologicals. 60, p. 15-23 9 p.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
  • Open Access
  • 2018

    Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1

    Mori, M., Deodato, D., Kasula, M., Ferraris, D. M., Sanna, A., De Logu, A., Rizzi, M. & Botta, M., 15 Feb 2018, In: Bioorganic and Medicinal Chemistry Letters. 28, 4, p. 637-641 5 p.

    Research output: Contribution to journalArticlepeer-review

  • Expanding Benzoxazole-Based Inosine 5′-Monophosphate Dehydrogenase (IMPDH) Inhibitor Structure-Activity As Potential Antituberculosis Agents

    Chacko, S., Boshoff, H. I. M., Singh, V., Ferraris, D. M., Gollapalli, D. R., Zhang, M., Lawson, A. P., Pepi, M. J., Joachimiak, A., Rizzi, M., Mizrahi, V., Cuny, G. D. & Hedstrom, L., 14 Jun 2018, In: Journal of Medicinal Chemistry. 61, 11, p. 4739-4756 18 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Hit discovery of Mycobacterium tuberculosis inosine 5′-monophosphate dehydrogenase, GuaB2, inhibitors

    Sahu, N. U., Singh, V., Ferraris, D. M., Rizzi, M. & Kharkar, P. S., 1 Jun 2018, In: Bioorganic and Medicinal Chemistry Letters. 28, 10, p. 1714-1718 5 p.

    Research output: Contribution to journalArticlepeer-review

  • Mycobacterium tuberculosis molecular determinants of infection, survival strategies, and vulnerable targets

    Ferraris, D. M., Miggiano, R., Rossi, F. & Rizzi, M., Mar 2018, In: Pathogens. 7, 1, 17.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
  • Mycobacterium tuberculosis UvrB forms dimers in solution and interacts with UvrA in the absence of ligands

    Lahiri, S., Rizzi, M., Rossi, F. & Miggiano, R., Jan 2018, In: Proteins: Structure, Function and Bioinformatics. 86, 1, p. 98-109 12 p.

    Research output: Contribution to journalArticlepeer-review

  • 2017

    Absolute structure and structure-function relationships of 4R,2′R and 4S,2′S Pidotimod®

    Sarno, S., Manzo, A. M., Ferraris, D. M., Miggiano, R., Rizzi, M., Palin, L., Boccaleri, E. & Milanesio, M., 5 Nov 2017, In: Journal of Molecular Structure. 1147, p. 810-814 5 p.

    Research output: Contribution to journalArticlepeer-review

  • Biochemical and structural investigations on phosphoribosylpyrophosphate synthetase from mycobacterium smegmatis

    Donini, S., Garavaglia, S., Ferraris, D. M., Miggiano, R., Mori, S., Shibayama, K. & Rizzi, M., Apr 2017, In: PLoS ONE. 12, 4, e0175815.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Essential but not vulnerable: Indazole sulfonamides targeting inosine monophosphate dehydrogenase as potential leads against Mycobacterium tuberculosis

    Park, Y., Pacitto, A., Bayliss, T., Cleghorn, L. A. T., Wang, Z., Hartman, T., Arora, K., Ioerger, T. R., Sacchettini, J., Rizzi, M., Donini, S., Blundell, T. L., Ascher, D. B., Rhee, K., Breda, A., Zhou, N., Dartois, V., Jonnala, S. R., Via, L. E. & Mizrahi, V. & 35 others, Epemolu, O., Stojanovski, L., Simeons, F., Osuna-Cabello, M., Ellis, L., MacKenzie, C. J., Smith, A. R. C., Davis, S. H., Murugesan, D., Buchanan, K. I., Turner, P. A., Huggett, M., Zuccotto, F., Rebollo-Lopez, M. J., Lafuente-Monasterio, M. J., Sanz, O., Diaz, G. S., Lelièvre, J., Ballell, L., Selenski, C., Axtman, M., Ghidelli-Disse, S., Pflaumer, H., Bösche, M., Drewes, G., Freiberg, G. M., Kurnick, M. D., Srikumaran, M., Kempf, D. J., Green, S. R., Ray, P. C., Read, K., Wyatt, P., Barry, C. E. & Boshoff, H. I., 13 Jan 2017, In: ACS Infectious Diseases. 3, 1, p. 18-33 16 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Every OGT is illuminated … By fluorescent and synchrotron lights

    Miggiano, R., Valenti, A., Rossi, F., Rizzi, M., Perugino, G. & Ciaramella, M., 5 Dec 2017, In: International Journal of Molecular Sciences. 18, 12, 2613.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
  • Interdomain interactions rearrangements control the reaction steps of a thermostable DNA alkyltransferase

    Morrone, C., Miggiano, R., Serpe, M., Massarotti, A., Valenti, A., del Monaco, G., Rossi, M., Rossi, F., Rizzi, M., Perugino, G. & Ciaramella, M., 1 Feb 2017, In: Biochimica et Biophysica Acta - General Subjects. 1861, 2, p. 86-96 11 p.

    Research output: Contribution to journalArticlepeer-review

  • Open Access
  • The inosine monophosphate dehydrogenase, GuaB2, is a vulnerable new bactericidal drug target for tuberculosis

    Singh, V., Donini, S., Pacitto, A., Sala, C., Hartkoorn, R. C., Dhar, N., Keri, G., Ascher, D. B., Mondésert, G., Vocat, A., Lupien, A., Sommer, R., Vermet, H., Lagrange, S., Buechler, J., Warner, D. F., McKinney, J. D., Pato, J., Cole, S. T. & Blundell, T. L. & 2 others, Rizzi, M. & Mizrahi, V., 13 Jan 2017, In: ACS Infectious Diseases. 3, 1, p. 5-17 13 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • 2016

    Crystal structure of human aldehyde dehydrogenase 1A3 complexed with NAD+ and retinoic acid

    Moretti, A., Li, J., Donini, S., Sobol, R. W., Rizzi, M. & Garavaglia, S., 19 Oct 2016, In: Scientific Reports. 6, 35710.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA

    Miggiano, R., Perugino, G., Ciaramella, M., Serpe, M., Rejman, D., Páv, O., Pohl, R., Garavaglia, S., Lahiri, S., Rizzi, M. & Rossi, F., 15 Jan 2016, In: Biochemical Journal. 473, 2, p. 123-133 11 p.

    Research output: Contribution to journalArticlepeer-review

  • 2015

    Crystal structure of human nicotinic acid phosphoribosyltransferase

    Marletta, A. S., Massarotti, A., Orsomando, G., Magni, G., Rizzi, M. & Garavaglia, S., 1 Jan 2015, In: FEBS Open Bio. 5, p. 419-428 10 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Extracellular nicotinamide phosphoribosyltransferase (NAMPT) promotes M2 macrophage polarization in chronic lymphocytic leukemia

    Audrito, V., Serra, S., Brusa, D., Mazzola, F., Arruga, F., Vaisitti, T., Coscia, M., Maffei, R., Rossi, D., Wang, T., Inghirami, G., Rizzi, M., Gaidano, G., Garcia, J. G. N., Wolberger, C., Raffaelli, N. & Deaglio, S., 1 Jan 2015, In: Blood. 125, 1, p. 111-123 13 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein

    Perugino, G., Miggiano, R., Serpe, M., Vettone, A., Valenti, A., Lahiri, S., Rossi, F., Rossi, M., Rizzi, M. & Ciaramella, M., 15 Oct 2015, In: Nucleic Acids Research. 43, 18, p. 8801-8816 16 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis

    Ferraris, D. M., Spallek, R., Oehlmann, W., Singh, M. & Rizzi, M., Feb 2015, In: Proteins: Structure, Function and Bioinformatics. 83, 2, p. 389-394 6 p.

    Research output: Contribution to journalArticlepeer-review

  • 2014

    Crystal structure of the Mycobacterium tuberculosis phosphate binding protein PstS3

    Ferraris, D. M., Spallek, R., Oehlmann, W., Singh, M. & Rizzi, M., Sept 2014, In: Proteins: Structure, Function and Bioinformatics. 82, 9, p. 2268-2274 7 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor

    Mori, M., Moraca, F., Deodato, D., Ferraris, D. M., Selchow, P., Sander, P., Rizzi, M. & Botta, M., 1 Jun 2014, In: Bioorganic and Medicinal Chemistry Letters. 24, 11, p. 2508-2511 4 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • 2013

    Biochemical and structural studies of the Mycobacterium tuberculosis O6-methylguanine methyltransferase and mutated variants

    Miggiano, R., Casazza, V., Garavaglia, S., Ciaramell, M., Perugino, G., Rizzi, M. & Rossia, F., 2013, In: Journal of Bacteriology. 195, 12, p. 2728-2736 9 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • 2012

    Functional characterization of the Mycobacterium tuberculosis zinc metallopeptidase Zmp1 and identification of potential substrates

    Petrera, A., Amstutz, B., Gioia, M., Hähnlein, J., Baici, A., Selchow, P., Ferraris, D. M., Rizzi, M., Sbardella, D., Marini, S., Coletta, M. & Sander, P., Jul 2012, In: Biological Chemistry. 393, 7, p. 631-640 10 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access