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Computational molecular docking assessment of hormone receptor adjuvant drugs: Breast cancer as an example  Sayan Mukherjee, Durjoy Majumder  Pathophysiology 

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Presentation on theme: "Computational molecular docking assessment of hormone receptor adjuvant drugs: Breast cancer as an example  Sayan Mukherjee, Durjoy Majumder  Pathophysiology "— Presentation transcript:

1 Computational molecular docking assessment of hormone receptor adjuvant drugs: Breast cancer as an example  Sayan Mukherjee, Durjoy Majumder  Pathophysiology  Volume 16, Issue 1, Pages (June 2009) DOI: /j.pathophys Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

2 Fig. 1 Schematic flow chart for the use of AutoDock for protein–ligand docking. Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

3 Fig. 2 Structure of drugs tamoxifen (A), toremifene (B), raloxifene (C) and mifepristone (D). Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

4 Fig. 3 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E) and progesterone (F) docked onto the estrogen receptor α (ER-α, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

5 Fig. 4 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E) and progesterone (F) docked onto the estrogen receptor β (ER-β, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

6 Fig. 5 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E), progesterone (F) and dexamethasone (G) docked onto the glucocorticoid receptor (GR, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

7 Fig. 6 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E) and progesterone (F) docked onto the progesterone receptor (PR, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

8 Fig. 7 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E) and progesterone (F) docked onto the prolactin receptor (PLR, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

9 Fig. 8 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E), progesterone (F) and nandrolone (G) docked onto the androgen receptor (AR, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions

10 Fig. 9 Tamoxifen (A), toremifene (B), raloxifene (C), estradiol (D), mifepristone (E), progesterone (F), thyroxine (T4) (G) and thyroxine (T3) docked onto the thyroid receptor (TR, blue) in its lowest energy docked conformation. Drug molecule is shown in orange. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of the article.) Pathophysiology  , 19-29DOI: ( /j.pathophys ) Copyright © 2008 Elsevier Ireland Ltd Terms and Conditions


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