Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol

European Journal of Medicinal Chemistry

Volumn 47, Issue 1, 2012, Pages 24-37

  Gabrielsen, Mari ^a   Kurczab, Rafał ^b   Ravna, Aina W ^a   Kufareva, Irina ^c   Abagyan, Ruben ^c   Chilmonczyk, Zdzisław ^d   Bojarski, Andrzej J ^b   Sylte, Ingebrigt ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

^b INSTITUTE OF PHARMACOLOGY   (Poland)

^c UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

^d NATIONAL MEDICINES INSTITUTE   (Poland)

Author keywords

4D flexible docking; ICM; SERT homology models; SERT inhibitors; Structure based pharmacophore models; Virtual screening

Indexed keywords

AMINO ACID; AROMATIC AMINO ACID; MAZINDOL; RADIOLIGAND; SEROTONIN TRANSPORTER; SEROTONIN UPTAKE INHIBITOR; TRICYCLIC ANTIDEPRESSANT AGENT;

ARTICLE; BINDING KINETICS; BINDING SITE; DRUG STRUCTURE; FOUR DIMENSIONAL FLEXIBLE DOCKING; LIGAND BINDING; MOLECULAR DOCKING; MONTE CARLO METHOD; PHARMACOPHORE; PROTEIN STABILITY; VIRTUAL REALITY;

EID: 84855770619     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.09.056     Document Type: Article

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