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초록
영어
Human P-gp is one of the protein responsible for the multidrug resistance (MDR) develpment. MDR is a major cause of the cancer chemotherapy. In this paper, we performed homology modeling, docking study of papayriferic acid into the P-gp nucleotide binding domain (NBD2). For human P-gp, X-ray crystal structure is not known yet. We developed homology model for human NBD2 using HlyB ABC transporter structure (PDB code: 1XEF, resolution 2.5 Å). Docking study was performed using Autodock. Docking result was analyzed, which shows that ligand docks into steroid binding site and interacts through hydrophobic and hydrophilic interactions.
목차
Abstract
1. Introduction
2. Experimental Section
2.1. Sequence Alignment and Homology Modeling of P-gp NBD2
2.2. Molecular Docking of Papyriferic Acid Derivatives into NBD2 Model
3. Results and Discussion
3.1. Sequence and Homology Model Analysis
3.2. Docking Analysis of 37 and 29 into NBD2 Cavity
4. Conclusion
References
1. Introduction
2. Experimental Section
2.1. Sequence Alignment and Homology Modeling of P-gp NBD2
2.2. Molecular Docking of Papyriferic Acid Derivatives into NBD2 Model
3. Results and Discussion
3.1. Sequence and Homology Model Analysis
3.2. Docking Analysis of 37 and 29 into NBD2 Cavity
4. Conclusion
References
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자료제공 : 네이버학술정보