In silico identification and in vitro validation of potential cholestatic compounds through 3D ligand-based pharmacophore modeling of BSEP inhibitors.

Ritschel, Tina; Hermans, Susanne M A; Schreurs, Marieke; van den Heuvel, Jeroen J M W; Koenderink, Jan B; Greupink, Rick; Russel, Frans G M

Ritschel, Tina; Hermans, Susanne M A; Schreurs, Marieke; van den Heuvel, Jeroen J M W; Koenderink, Jan B; Greupink, Rick; Russel, Frans G M.

Affiliation

Ritschel T; Computational Discovery and Design (CDD) Group, Centre for Molecular and Biomolecular Informatics (CMBI), Radboud university medical center , P.O. Box 9101, 6500 HB Nijmegen, The Netherlands.

Chem Res Toxicol ; 27(5): 873-81, 2014 May 19.

Article in En | MEDLINE | ID: mdl-24713091

Subject(s)

ATP-Binding Cassette Transporters/antagonists & inhibitors; ATP-Binding Cassette Transporters/metabolism; Drug Design; ATP Binding Cassette Transporter, Subfamily B, Member 11; Computer Simulation; HEK293 Cells; Humans; Ligands; Models, Molecular; Taurocholic Acid/metabolism

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / ATP-Binding Cassette Transporters Type of study: Diagnostic_studies Limits: Humans Language: En Journal: Chem Res Toxicol Journal subject: TOXICOLOGIA Year: 2014 Type: Article Affiliation country: Netherlands

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