Application of Genetic Algorithm in Understanding Drug- Drug Interactions
|International Journal of Engineering Trends and Technology (IJETT)||
|© 2015 by IJETT Journal|
|Year of Publication : 2015|
|Authors : Sudha Ramachandra, Vinay Chavan
|DOI : 10.14445/22315381/IJETT-V30P276|
Sudha Ramachandra, Vinay Chavan"Application of Genetic Algorithm in Understanding Drug- Drug Interactions", International Journal of Engineering Trends and Technology (IJETT), V30(8),405-408 December 2015. ISSN:2231-5381. www.ijettjournal.org. published by seventh sense research group
Genetic algorithms (GA) are promising search algorithms in virtual screening of drugdiscovery process. A molecular docking tool extensively used in the process of drug discovery uses GA as search algorithm. CYP2B6 is an important drug metabolizing enzyme in the super family of CYP enzymes but less understood and polymorphic in nature. Anticancer drugs Cyclophosphamide and Thiotepa are both metabolized by CYP2B6. The present work embodies the impact of Single Nucleotide Polymorphism(SNP) of CYP2B6 enzymes on drug-drug interactions of anti-cancer drugs Cyclophosphamide and Thiotepa when both are administered concurrently in terms of binding energies by molecular docking using “ArgusLab” . The outcome of the present work may find its application in pharmacogenomics which holds a promise in personalized medicine that drugs might one day be tailor-made for individuals and adapted to each person`s own genetic makeup.
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receptor, ligand, active site, molecular docking, binding energy, polymorphism, virtual screening.