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Comparative Modeling of Human P-gp NBD2 and Docking and Binding Mode Analysis of 8-Geranyl Chrysin as a P-gp Modulator

  • Gadhe, Changdev G. (Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research)
  • 투고 : 2012.02.05
  • 심사 : 2012.03.27
  • 발행 : 2012.03.30

초록

The resistance of tumour cells against cytotoxic drug is significant limitation in successful chemotherapeutic treatment of cancer. To date, no crystal structure is available for human P-gp. We developed homology model for human P-gp NBD2 by using coordinates of transporter associated protein (TAP1). Docking study was performed for 8-geranyl-chrysin (Flavonoids) inhibitor in the NBD2 model. Ligand-protein interactions were determined which indicates that the 8-geranyl chrysin shares two overlapping sites in the cytosolic domains of P-gp, the ATP site and a hydrophobic steroid-binding site.

키워드

참고문헌

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