Blar i forfatter "Bojarski, Andrzej J."

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    • Identification of novel serotonin transporter compounds by virtual Screening 

      Gabrielsen, Mari; Kurczab, Rafal; Siwek, Agata; Wolak, Malgorzata; Ravna, Aina Westrheim; Kristiansen, kurt; Kufareva, Irina; Abagyan, Ruben; Nowak, Gabriel; Chilmonczyk, Zdzislaw; Sylte, Ingebrigt; Bojarski, Andrzej J. (Journal article; Tidsskriftartikkel; Peer reviewed, 2014-02-12)
      The serotonin (5-hydroxytryptamine, 5-HT) transporter (SERT) plays an essential role in the termination of serotonergic neurotransmission by removing 5-HT from the synaptic cleft into the presynaptic neuron. It is also of pharmacological importance being targeted by antidepressants and psychostimulant drugs. Here, five commercial databases containing approximately 3.24 million drug-like compounds ...

    • A linear combination of pharmacophore hypotheses as a new tool in search or new active compounds - An application for 5-HT1a receptor ligands 

      Warszycki, Dawid; Mordalski, Stefan; Kristiansen, kurt; Kafel, Rafal; Sylte, Ingebrigt; Chilmonczyk, Zdzislaw; Bojarski, Andrzej J. (Journal article; Tidsskriftartikkel; Peer reviewed, 2013)
      This study explores a new approach to pharmacophore screening involving the use of an optimized linear combination of models instead of a single hypothesis. The implementation and evaluation of the developed methodology are performed for a complete known chemical space of 5-HT1AR ligands (3616 active compounds with Ki < 100 nM) acquired from the ChEMBL database. Clusters generated from three different ...