Application of Genetic Algorithm in Understanding Drug Drug Interactions

Application of Genetic Algorithm in Understanding Drug- Drug Interactions

  IJETT-book-cover  International Journal of Engineering Trends and Technology (IJETT)          
  
© 2015 by IJETT Journal
Volume-30 Number-8
Year of Publication : 2015
Authors : Sudha Ramachandra, Vinay Chavan
DOI :  10.14445/22315381/IJETT-V30P276

Citation 

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

Abstract
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.

 References

[1] David E.Godberg , `Genetic algorithms`, Pearson Education India, 2006.
[2] http://brainz.org/15-real-world-applications-geneticalgorithms/
[3] Ambreen Hafeez, Zafar Saied Saify, " Molecular Docking Study on the Interaction of Riboflavin (Vitamin ) and Cyanocobalamin (Vitamin ) Coenzymes", Journal of Computational Medicine,2013
[4] Raquel Dias , Raquel Dias. `Molecular Docking Algorithms` Current Drug Targets, 2008.
[5] B. Vijayakumar and P. Dheen Kumar,`MOLECULAR DOCKING STUDIES – A REVIEW`, IJMCA, Vol 2, Issue 2, 2012 .
[6] Ulrich M. Zanger, , Matthias Schwab, `Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation`, Pharmacology and Therapeutics,Volume 138, Issue 1 ,April 2013.
[7] Ravi Sachidanandam , David Weissman “A map of human genome sequence variation containing 1.42 million single nucleotide polymorphisms”,Nature,2000
[8] http://ghr.nlm.nih.gov/handbook/genomicresearch/snp
[9] https://www.broadinstitute.org/education/glossary/snp
[10] Sarah C. Preissner ,Michael F. Hoffmann ,Robert Preissner,Mathias Dunkel, Andreas Gewiess, Saskia Preissner ,` Polymorphic Cytochrome P450 Enzymes (CYPs) and Their Role in Personalized Therapy`, PLOS, December 10, 2013.
[11] Magnus Ingelman `Drug?Metabolising Enzymes: Genetic Polymorphisms`,els, 15 November 2011.
[12] Andreas Luch,”Molecular, Clinical and Environmenatl Toxicology”,Volume 3, Springer
[13] http://www.differencebetween.com/difference-betweenenzyme- and-vs-protein
[14] https://pubchem.ncbi.nlm.nih.gov/compound/cyclophosph amide
[15] http://www.snpedia.com/index.php/CYP2B6
[16] http://www.ncbi.nlm.nih.gov/projects/SNP/
[17] Huitema AD, Kerbusch T, Tibben MM, Rodenhuis S, Beijnen JH.,„Reduction of cyclophosphamide bioactivation by thioTEPA: critical sequence-dependency in high-dose chemotherapy regimens?, Cancer Chemother Pharmacol;2000
[18] http://swissmodel.expasy.org/
[19] Thien-An Nguyen, Marina Tychopoulos et.al., „ Improvement of Cyclophosphamide Activation by CYP2B6 Mutants: From in Silico to ex Vivo? , Molecular Pharmacology, April 2008
[20] www.arguslab.com

Keywords
receptor, ligand, active site, molecular docking, binding energy, polymorphism, virtual screening.