Study on Molecular Modeling of P-Glycoprotein (P-gp) Structure Using Computational Approach

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Anurag Pal
Abhisek Pal


Proteins are sometimes described as long necklaces with differently shaped beads. Each bead is a small amino acid. These amino acids can join together to make thousands of different proteins. P-glycoprotein (P-gp) is one of the xenobiotic transport proteins implicated in multi-drug resistance in neoplastic tissues. It is a cell membrane-associated protein that transports a variety of drug substrates. P-gp (ABCB1) appears to have developed as a mechanism to protect the body from harmful substances. P-gp functions as a drug export pump that decreases intracellular concentrations of numerous chemotherapeutic agents. In this paper, P-gp has been taken as the target sequence and the protein is processed under molecular modeling. To know the proper molecular model of the protein, the target sequence is matched with the protein structure database with the help of protein data bank to find the templates. The target sequence has been matched with protein structure database with the help of bioinformatics tool and also with some of the other programming techniques. The maximum identity accession along with the P-gp structure is identified; its structure is analyzed and compared with the existing P-gp structure.

Keywords: P-glycoprotein (Pgp); Chemotherapeutic Agents; Remote Protein Homologies; Modeler; Structure Templates; Structure Drug Design; Drug Export Pump; molecular modeling


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