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Welcome
Friends, colleagues, collaborator and visitors, Thank you for your interest in this website. I welcome you to a brief introduction to the content of this website. It was with some trepidation that I decided to have a personal website that would condense in one place my professional activities as well as some of my extra-curricular projects and activities. Somehow, I thought that 2011 would be year to make this site accessible. Your feedback as to the effectiveness of this site would be greatly appreciated. The headings and images of this site point to the different areas of my interests both professional and personal. From left to right these are: Notes of a Protein Crystallographer (essays centered on Molecular Structure), Crystals and Life (Science Communication), Bernal's Picasso (drama of scientific discovery), The Sorcerer's Apprentice (lighter essays on drug-discovery), Efficiency-Based Drug Discovery (my vision for the future of drug-discovery), AtlasCBS (a server to map Chemico-Biological Space), Contact information and Consulting (Lecturing and consulting). For further information, open the contact information tab and send me a brief e-mail to either my personal or my professional address. I would be more than pleased to establish a dialog with you from which I do hope that we can both benefit Thank you again for your interest and I do look forward to hearing from you. Cele |
News & views
Visiting professor at the University of Alcala de Henares (Madrid) in the Department of Pharmacology, sponsored by the Foundation Giner de los Rios to update, develop the AtlasCBS server and train students and medicinal chemistry professionals. Laboratory of Prof. F. Gago. Feb.-June.2013. Recently published book: Ligand Efficiency Indices for Drug Discovery Towards an Atlas--Guided Paradigm See Flyer >> Recent papers: Published paper on humidity control in macromolecular crystallography Recent book summarizing the concepts and ideas related to Ligand Efficiency Indices in Drug-Discovery: 'Ligand Efficiency Indices for Drug Discovery: Towards and Atlas-Guided Paradigm' Read More about the recent article in El Pais. Cortes-Cabrera, A., Morreale, A., Gago, F. and C. Abad-Zapatero. AtlasCBS: a web server to map and explore chemico-biological space. J. Comp. Aided Mol. Design. 2012. DOI 10.1007/s10822-012-9587-5. Read More Contribution of indazolinone tautomers to kinase activity. Vasudevan A, Verzal MK, Villamil CI, Stewart KD, Abad-Zapatero C, Oie T, Djuric SW. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4502-5. Exploration of diverse hinge-binding scaffolds for selective Aurora kinase inhibitors. Ji Z, Dai Y, Abad-Zapatero C, Albert DH, Bouska JJ, Glaser KB, Marcotte PA, Soni NB, Magoc TJ, Stewart KD, Wei RQ, Davidsen SK, Michaelides MR. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4528-31. Epub 2012 Jun 7. Notes of a protein crystallographer: on the high-resolution structure of the PDB growth rate Abad-Zapatero, C. Acta Cryst. (2012). D68, 613-617 Article in El Pais commemorating the 40th anniversary of the PDB, at a meeting in Cold Spring Harbor Laboratory, Oct. 28-30, 2011. AtlasCBS server beta-version available (see Tab). Humidity control can compensate for the damage induced in protein crystals by alien solutions. C. Abad-Zapatero, R. Oliete, S. Rodriguez-Puente, J. Pous, L. Martinelli, M. E. Johnson and A. Guasch. Acta Crysta. (2011) F67, 1300-1308. Discovery of potent and selective thienopyrimidine inhibitors of Aurora kinases William J. McClellan, Yujia Dai, Cele .Abad-Zapatero, Daniel H. Albert, Jennifer J. Bouska, Keith B. Glaser, Terry J. Magoc, Patrick A. Marcotte, Donald J. Osterling, Kent D. Stewart, Steven K. Davidsen, Michael R. Michaelides. Bioorganic & Medicinal Chemistry Letters 21 (2011) 5620–5624. Crystallization and preliminary X-ray Characterization of the glpX-encoded class II fructose-1,6-bisphosphatase from Mycobacterium tuberculosis.S Gutka, H., S.G. Franzblau, F. Movahedzadeh and Cele Abad-Zapatero. (2011). Acta Cryst. Section F, F67, 710-173. Ligand Efficiency Indices (LEIs): More than a Simple Efficiency Yardstick. (2011). Cele Abad-Zapatero & D. Blassi. Review in Molecular Informatics. 30(2-3), 122-132. Time-Trajectories in Efficiency Maps as Effective Guides for Drug Discovery Efforts. (2011). Serge Christmann-Franck, Daniel Cravo and Cele Abad-Zapatero. Molecular Informatics. 30 (2-3), 137-144. Retrospective Mapping of SAR Data for TTR Protein in Chemico-Biological Space Using Ligand Efficiency Indices as a Guide to Drug Discovery Strategies. (2011). Daniel Blasi, Gemma Arsequell, Gregori Valencia, Joan Nieto, Antoni Planas, Marta Pinto, Nuria B. Centeno, Cele Abad-Zapatero, Jordi Quintana. Molecular Informatics. 30 (2-3), 161-167.
Recent article about 4th generation synchrotons appeared in the electronic version of the Spanish Newspaper 'El País' Feb. 15, 2011. Destellos brillantes y ultracortos iluminarán la nueva biología estructural. More...
Recent publication of the AtlasCBS concept in Drug Discovery Today. Ligand Efficiency Indices for an effective mapping of Chemico-Biological Space: the concept of an atlas-like representation. (2010). Drug Discovery Today. 15: 804-811. C. Abad-Zapatero, O. Perišić, J. Wass, A. P. Bento, J. Overington, B. Al-Lazikani, M. E. Johnson.
A novel non-ATP site in Protein Kinases of the MAP group (an interesting paper of SBDD). Discovery and Characterization of non-ATP site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Chemical Biology. (2010). K. M. Comess, C. Sun, C. Abad-Zapatero, D. Borhani, E. Goedken, M. Argiriardi, D. R. Groebe, R. J. Gum, Y. Jia, J. E. Clampit, D. L. Haasch, H. T. Smith, S. Wang, D. Song, M. L. Coen, T. E. Cloutier, H. Tang, X. Cheng, C. Quinn, B. Liu, Z. Xin, G. Liu, E. H. Fry, V. Stoll, T. I. Ng, D. Banach, D. Marcotte, D. J. Burns, P. J. Hajduk. American Chemical Society. Chemical Biology. in press. (available online).
Current affiliation (May 1-July 31, 2011):
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