COMPUTATIONAL BIOLOGICAL STUDY OF ARAOMATASE INHIBITORS DOCKING WITH HUMAN PLACENTAL AROMATASE CYTOCHROME P450
Journal Title: International Journal of Pharmacy and Pharmaceutical Sciences - Year 2016, Vol 8, Issue 7
Abstract
Objective: In this current study the pharmacophore of  aromatase inhibitor drugs and tamoxifen, is predicted and is docked with human placental aromatase cytochrome P450Methods: The tools and software used are Protein Data BanK, to retrieve the structure of the protein; pubchem compound database, to retrieve the chemical structure of the aromatase inhibitors; pharmacophore analysis and the docking analysis using Discovery Studio2.0.Results:  The results show that all the drugs are more favorable to bind with arginine (Arg) amino acid present in the active site of the protein. Letrozole shows good binding affinity with active site of the protein.Conclusion: Among the four drugs, Letrozole shows more dock score of 76.566kcal/mol with internal energy of -9.759. On the other hand, tamoxifen shows least dock score of 48.494 kcal/mol having internal energy of -4.987. Thus, the docking study reveals that aromatase inhibitors drugs are more effective than tamoxifen for treating postmenopausal in women.
Authors and Affiliations
Jaynthy Chellam, Rohini Deepa I.
Keywords
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