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Browsing by Subject "drug design"

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    • Article  

      Caspase-independent pathways of programmed cell death: The unraveling of new targets of cancer therapy? 

      Constantinou, Constantina; Papas, Konstantinos A.; Constantinou, Andreas I. (2009)
      In the past few years, accumulating evidence in the literature supports the existence of pathways of caspase-independent programmed cell death (CI-PCD). These pathways are likely to be acting as 'death backup systems' that ...

    • Article  

      Delivering nanomedicine to solid tumors 

      Jain, R. K.; Stylianopoulos, T. (2010)
      Recent advances in nanotechnology have offered new hope for cancer detection, prevention, and treatment. While the enhanced permeability and retention effect has served as a key rationale for using nanoparticles to treat ...

    • Article  

      Design, synthesis and biological evaluation of benzo[e][1,2,4]triazin-7(1H) -one and [1,2,4]-triazino[5,6,1-jk]carbazol-6-one derivatives as dual inhibitors of beta-amyloid aggregation and acetyl/butyryl cholinesterase 

      Catto, M.; Berezin, Andrey A.; Lo Re, D.; Loizou, G.; Demetriades, Marina; De Stradis, A.; Campagna, F.; Koutentis, Panayiotis Andreas; Carotti, A. (2012)
      Alzheimer's disease (AD) onset and progression are associated with the dysregulation of multiple and complex physiological processes and a successful therapeutic approach should therefore address more than one target. Two ...

    • Article  

      Glycogen phosphorylase inhibitors: A free energy perturbation analysis of glucopyranose spirohydantoin analogues 

      Archontis, Georgios Z.; Watson, K. A.; Xie, Q.; Andreou, Georgia; Chrysina, Evangelia D.; Zographos, Spyros E.; Oikonomakos, Nikos G.; Karplus, M. (2005)
      GP catalyzes the phosphorylation of glycogen to Glc-1-P. Because of its fundamental role in the metabolism of glycogen, GP has been the target for a systematic structure-assisted design of inhibitory compounds, which could ...

    • Article  

      HIV-1 integrase: From biology to chemotherapeutics 

      Zeinalipour-Loizidou, E.; Nicolaou, Charalambos P.; Nicolaïdes, Andrew N.; Kostrikis, Leontios G. (2007)
      AIDS has claimed the lives of 25 million people worldwide, an additional 40 million people are HIV-infected and new cases are being diagnosed every year. Despite the fact that HAART has moved AIDS from the category of ...

    • Article  

      HIV-1 integrase: From biology to chemotherapeuticsAAA 

      Zeinalipour-Loizidou, E.; Nicolaou, Charalambos P.; Nicolaïdes, Andrew N.; Kostrikis, Leontios G. (2007)
      AIDS has claimed the lives of 25 million people worldwide, an additional 40 million people are HIV-infected and new cases are being diagnosed every year. Despite the fact that HAART has moved AIDS from the category of ...

    • Article  

      Intelligent drug delivery systems for the treatment of solid tumors 

      Stylianopoulos, T. (2016)
      The rationale for the use of nanoparticle formulations to treat cancer is based on the ability of these particles to facilitate selective delivery of drugs to the tumor site, reducing adverse effects and improving therapeutic ...

    • Article  

      Molecular Dynamics in Drug Design: New Generations of Compstatin Analogs 

      Tamamis, Phanourios; López de Victoria, A.; Gorham, R. D.; Bellows-Peterson, M. L.; Pierou, P.; Floudas, C. A.; Morikis, D.; Archontis, Georgios Z. (2012)
      We report the computational and rational design of new generations of potential peptide-based inhibitors of the complement protein C3 from the compstatin family. The binding efficacy of the peptides is tested by extensive ...

    • Article  

      Molecular optimization using computational multi-objective methods 

      Nicolaou, Christos A.; Brown, N.; Pattichis, Constantinos S. (2007)
      Improving the profile of a molecule for the drug-discovery process requires the simultaneous optimization of numerous, often competing objectives. Traditionally, standard chemo-informatics methods ignored this problem and ...

    • Article  

      De novo drug design using multiobjective evolutionary graphs 

      Nicolaou, Christos A.; Apostolakis, Joannis; Pattichis, Constantinos S. (2009)
      Drug discovery and development is a complex, lengthy process, and failure of a candidate molecule can occur as a result of a combination of reasons, such as poor pharmacokinetics, lack of efficacy, or toxicity. Successful ...

    • Article  

      Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-β-d-glucopyranosylamines 

      Parmenopoulou, Vanessa; Kantsadi, Anastassia L.; Tsirkone, Vicky G.; Chatzileontiadou, Demetra S. M.; Manta, Stella; Zographos, Spyros E.; Molfeta, Christina; Archontis, Georgios Z.; Agius, Loranne; Hayes, Joseph M.; Leonidas, Demetres D.; Komiotis, Dimitris (2014)
      Glycogen phosphorylase (GP) is a validated target for the development of new type 2 diabetes treatments. Exploiting the Zinc docking database, we report the in silico screening of 1888 N-acyl-β-d-glucopyranosylamines ...

    • Article  

      Towards Optimal Design of Cancer Nanomedicines: Multi-stage Nanoparticles for the Treatment of Solid Tumors 

      Stylianopoulos, Triantafyllos; Economides, Eva Athena; Baish, J. W.; Fukumura, D.; Jain, R. K. (2015)
      Conventional drug delivery systems for solid tumors are composed of a nano-carrier that releases its therapeutic load. These two-stage nanoparticles utilize the enhanced permeability and retention (EPR) effect to enable ...

    • Article  

      Towards Optimal Design of Cancer Nanomedicines: Multi-stage Nanoparticles for the Treatment of Solid Tumors 

      Stylianopoulos, T.; Economides, E. A.; Baish, J. W.; Fukumura, D.; Jain, R. K. (2015)
      Conventional drug delivery systems for solid tumors are composed of a nano-carrier that releases its therapeutic load. These two-stage nanoparticles utilize the enhanced permeability and retention (EPR) effect to enable ...

    • Article  

      Vitamin E and cancer: An insight into the anticancer activities of vitamin E isomers and analogs 

      Constantinou, Constantina; Papas, Andreas M.; Constantinou, Andreas I. (2008)
      Current observations in the literature suggest that vitamin E may be a suitable candidate for the adjuvant treatment of cancer. Even though historically most research focused on α-tocopherol, more recent evidence suggests ...

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