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Structural insights into hA2B affinity and selectivity of 9-deazaxanthines (9dAX) from combined ligand- and structure-based approaches 1-gen-2006 Stefanachi, Angela; Carotti, A; Brea, J. M.; Cadavid, M. I.; Centeno, N. B.; Esteve, C; Fontaine, F; GUTIERREZ DE TÉRAN, H; Loza, M. I.; Martínez, A; Moro, S; Morizzo, E; Nicolotti, Orazio; Nieto, R; Pastor, M; Raviña, E; Sanz, F; Segarra, V; Sotelo, E; AND VIDAL, B.
A novel function for non-deterministic scouting of optimal QSAR models out of a highly-structured physicochemical space. 1-gen-2006 Nicolotti, Orazio; Miscioscia, T. F.; Leonetti, Francesco; Carotti, A.
QSAR and QSPR Studies of a Highly Structured Physico-Chemical Domain 1-gen-2006 Nicolotti, Orazio; Carotti, Angelo
Structural Insights into MAO Inhibitory Potency and Selectivity of 7-substituted Coumarins from Ligand- and Target-based Approaches 1-gen-2006 Catto, Marco; Nicolotti, Orazio; Leonetti, Francesco; Carotti, Angelo; Favia, Ad; SOTO OTERO, R; MENDEZ ALVAREZ, E; Carotti, A.
Census of x-ray matrix metalloproteinase structures: analysis of protein domain organization and inhibitor zinc binding groups 1-gen-2007 Nicolotti, Orazio; Miscioscia, Tf; Giangreco, I; Tedeschi, P; Carotti, A.
Solid Phase Synthesis of Safinamide and Analogues as Potent and Selective MAO-B Inhibitors 1-gen-2007 Leonetti, Francesco; Capaldi, C; Pisani, Leonardo; Nicolotti, Orazio; Muncipinto, G; Stefanachi, Angela; Cellamare, Saverio; Caccia, C; Carotti, Angelo
Screening of matrix metalloproteinases available from the protein data bank: Insights into biological functions, domain organization, and zinc binding groups 1-gen-2007 Nicolotti, Orazio; Miscioscia, Tf; Leonetti, Francesco; Muncipinto, G; Carotti, A.
A new approach to combine ligand- and structure-based drug design. 1-gen-2008 Nicolotti, Orazio; Miscioscia, Tf; Carotti, A; Leonetti, Francesco; Giangreco, I; Carotti, A.
Diversity oriented virtual compound selection strategy for high throughput cell-based screening of potential anticancer agents 1-gen-2008 Gulyás Forróa, A; Szabó, Mj; Pőcze, G; Bágyi, I; Bespalov, M; Carotti, A; Cseh, S; Distinto, S; Goldblum, A; Kirchmair, J; Langer, T; Marcus, D; Mercurio, C; Mestres, J; Nicolotti, Orazio; Papp, A; Sanz, F; Zamora, I; Dormán, G.
An integrated methodology to interface structure- and ligand-based drug design 1-gen-2008 Giangreco, I; Nicolotti, Orazio; Miscioscia, Tf; Tedeschi, P; Carotti, A; Leonetti, Francesco; Carotti, A.
Design, synthesis and biological evaluation of new coumarin mannich bases as mono-aminoxidase B (MAO-B) inhibitors and anti-inflammatory agents 1-gen-2008 Kontogiorgis, C; Nicolotti, Orazio; Carotti, A; Hadjipavlou Litina, D.
An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors 1-gen-2008 Nicolotti, Orazio; Miscioscia, Tf; Carotti, Angelo; Leonetti, Francesco; Carotti, A.
Diversity oriented virtual compound selection strategy for high throughput screening of potential anticancer agents 1-gen-2008 Szabó, Mj; Carotti, A; Distinto, S; Goldblum, A; Gulyás Forró, A; Kirchmair, J; Langer, T; Marcus, D; Mestres, J; Nicolotti, Orazio; Sanz, F; Zamora, I; Dormán, G.
Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors 1-gen-2008 Leonetti, Francesco; Catto, Marco; Nicolotti, Orazio; Pisani, Leonardo; Cappa, A; Stefanachi, Angela; Carotti, Angelo
1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships 1-gen-2008 Stefanachi, Angela; Nicolotti, Orazio; Leonetti, Francesco; Cellamare, Saverio; Campagna, Francesco; Loza, Mi; Brea, Jm; Mazza, F; Gavuzzo, E; Carotti, Angelo
A multitarget approach in cancer research 1-gen-2009 Leonetti, Francesco; Stefanachi, Angela; Pellegrino, G; Nicolotti, Orazio; Catto, Marco; Muncipinto, G; Carotti, A.
Enhancing the success of QSAR via Multiobjective Optimization 1-gen-2009 Giangreco, I; Nicolotti, Orazio; Miscioscia, Tf; Carotti, A.
Solid phase synthesis of potential PKs inhibitors 1-gen-2009 Pellegrino, G; Leonetti, Francesco; Nicolotti, Orazio; Catto, Marco; Stefanachi, Angela; Pisani, Leonardo; Carotti, A.
Heterodimeric dual binding site cholinesterase inhibitors: surfing on the sub-nanomolar affinity 1-gen-2009 Pisani, Leonardo; Catto, Marco; Nicolotti, Orazio; Leonetti, Francesco; Stefanachi, Angela; Carotti, A.
An improved method for the biological evaluation of polyphenol derivatives as potential inhibitors of aβ(1–40) aggregation 1-gen-2009 Stolfa, A; Cellamare, Saverio; Stefanachi, Angela; Catto, Marco; Leonetti, Francesco; Nicolotti, Orazio; Carotti, A.
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