The comparison of the effect of different inhibitors on aromatase enzyme effective in the breast cancer by molecular docking method

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Kian Mahboobeh; TAZIKEH LEMESKI ELHAM

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Journal Paper

Paper Information

Journal: MEDICAL SCIENCES JOURNAL OF ISLAMIC AZAD UNIVERSITY Year:2021 | Volume:30 | Issue:4 Page(s): 396-407

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Title

The comparison of the effect of different inhibitors on aromatase enzyme effective in the breast cancer by molecular docking method

Author(s)

Kian Mahboobeh | TAZIKEH LEMESKI ELHAM | Issue Writer Certificate

Keywords

Aromatase enzyme

Inhibitor

Molecular docking

Exemestane (Aromasin)

Abstract

Background: Aromatase is an enzyme that plays an important role in the development of estrogen-positive breast cancer. Estrogens are essential in human and mainly in women because of their role in sexual development and reproduction. Adverse effects of some aromatase Inhibitors increase the need to discover new Inhibitors with higher selectivity, lower toxicity and improved potency. In this study, the binding state of all three generations of aromatase Inhibitors to the molecular structure of this protein using Molecular docking method has been studied. Materials and methods: In general, the Inhibitors based on steroid scaffolds (formestane and exemestane) have higher binding energy than azole scaffolds (fadrozole, anastrozole, letrozole), which may be due to their high structural strength. Results: Among all the considered structures studied, exemestane had the highest (negative) binding energy as well as the lowest Inhibitory constant. The free energy of binding and the Inhibitory constants was-8. 77 kcal mol-1 and 373. 32 nM respectively, which means that aromatase activity will be inhibited at the low concentrations of this anti-cancer drug. Conclusion: The knowledge gained from this study will have important implications regarding for pharmaceutical design.

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APA: Copy

Kian, Mahboobeh, & TAZIKEH LEMESKI, ELHAM. (2021). The comparison of the effect of different inhibitors on aromatase enzyme effective in the breast cancer by molecular docking method. MEDICAL SCIENCES JOURNAL OF ISLAMIC AZAD UNIVERSITY, 30(4 ), 396-407. SID. https://sid.ir/paper/963435/en

Vancouver: Copy

Kian Mahboobeh, TAZIKEH LEMESKI ELHAM. The comparison of the effect of different inhibitors on aromatase enzyme effective in the breast cancer by molecular docking method. MEDICAL SCIENCES JOURNAL OF ISLAMIC AZAD UNIVERSITY[Internet]. 2021;30(4 ):396-407. Available from: https://sid.ir/paper/963435/en

IEEE: Copy

Mahboobeh Kian, and ELHAM TAZIKEH LEMESKI, “The comparison of the effect of different inhibitors on aromatase enzyme effective in the breast cancer by molecular docking method,” MEDICAL SCIENCES JOURNAL OF ISLAMIC AZAD UNIVERSITY, vol. 30, no. 4 , pp. 396–407, 2021, [Online]. Available: https://sid.ir/paper/963435/en

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