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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

원문정보

Changdev G. Gadhe

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초록

영어

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.

목차

Abstract
 1. Introduction
 2. Materials and Method
  2.1. Homology Modeling
  2.2. Molecular Docking
 3. Results and Discussion
  3.1. Homology Modeling
  3.2 Molecular Docking Analysis
 4. Conclusion
 References

저자정보

  • Changdev G. Gadhe Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, SAS Nagar, Punjab-160062 INDIA

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자료제공 : 네이버학술정보

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