Search Results - "Caroli, Antonia"
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Investigation of a potential mechanism for the inhibition of SmTGR by Auranofin and its implications for Plasmodium falciparum inhibition
Published in Biochemical and biophysical research communications (06-01-2012)“…► We describe the binding site of Auranofin (AF) for SmTGR, an S. mansoni vital enzyme. ► We confirm a molecular mechanism for the SmTGR inhibition by AF. ► We…”
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Combining 3-D Quantitative Structure−Activity Relationship with Ligand Based and Structure Based Alignment Procedures for in Silico Screening of New Hepatitis C Virus NS5B Polymerase Inhibitors
Published in Journal of chemical information and modeling (26-04-2010)“…The viral NS5B RNA-dependent RNA-polymerase (RdRp) is one of the best-studied and promising targets for the development of novel therapeutics against hepatitis…”
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Hsp90 Inhibitors, Part 2: Combining Ligand-Based and Structure-Based Approaches for Virtual Screening Application
Published in Journal of chemical information and modeling (24-03-2014)“…Hsp90 continues to be an important target for pharmaceutical discovery. In this project, virtual screening (VS) for novel Hsp90 inhibitors was performed using…”
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Hsp90 Inhibitors, Part 1: Definition of 3‑D QSAutogrid/R Models as a Tool for Virtual Screening
Published in Journal of chemical information and modeling (24-03-2014)“…The multichaperone heat shock protein (Hsp) 90 complex mediates the maturation and stability of a variety of oncogenic signaling proteins. For this reason,…”
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Identification of the Schistosoma mansoni Molecular Target for the Antimalarial Drug Artemether
Published in Journal of chemical information and modeling (28-11-2011)“…Plasmodium falciparum and Schistosoma mansonii are the parasites responsible for most of the malaria and schistosomiasis cases in the world. Notwithstanding…”
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Investigations on the 1-(2-biphenyl)piperazine motif: identification of new potent and selective ligands for the serotonin(7) (5-HT(7)) receptor with agonist or antagonist action in vitro or ex vivo
Published in Journal of medicinal chemistry (26-07-2012)“…Here we report the design, synthesis, and 5-HT(7) receptor affinity of a set of 1-(3-biphenyl)- and 1-(2-biphenyl)piperazines. The effect on 5-HT(7) affinity…”
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Small-Molecule Interferon Inducers. Toward the Comprehension of the Molecular Determinants through Ligand-Based Approaches
Published in Journal of Chemical Information and Modeling (27-07-2009)“…Hepatitis C is becoming an increasingly common cause of mortality especially in the HIV-coinfected group. Due to the efficacy of interferon (IFN) based therapy…”
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CYP19 (aromatase): Exploring the scaffold flexibility for novel selective inhibitors
Published in Bioorganic & medicinal chemistry (15-09-2008)“…Several derivatives out of a series of antifungal agents exhibited a good inhibitory potency against aromatase as well as a fairly good selectivity toward…”
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Investigations on the 1-(2-Biphenyl)piperazine Motif: Identification of New Potent and Selective Ligands for the Serotonin7 (5-HT7) Receptor with Agonist or Antagonist Action in Vitro or ex Vivo
Published in Journal of medicinal chemistry (26-07-2012)“…Here we report the design, synthesis, and 5-HT7 receptor affinity of a set of 1-(3-biphenyl)- and 1-(2-biphenyl)piperazines. The effect on 5-HT7 affinity of…”
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