Benzoxepin-derived estrogen receptor modulators: a novel molecular scaffold for the estrogen receptor.
We present and examine the efficacy of a novel benzoxepin-based scaffold for modulation of the human estrogen receptor. Receptor tolerance of this new molecular scaffold is examined through presentation of experimentally determined antiproliferative effects on human MCF-7 breast tumor cells and measured binding affinities. The effect of functional group substitution on the benzoxepin scaffold is explored through a brief computational structure-activity relationship investigation with molecular simulation.
Lloyd
David G
DG
Department of Biochemistry, Trinity College Dublin, Dublin 2, Ireland.
Hughes
Rosario B
RB
Zisterer
Daniela M
DM
Williams
D Clive
DC
Fattorusso
Caterina
C
Catalanotti
Bruno
B
Campiani
Giuseppe
G
Meegan
Mary J
MJ
D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D001584:Benzoxepins / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D045744:Cell Line, Tumor; D020847:Estrogen Receptor Modulators / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D011960:Receptors, Estrogen / Q000737:chemistry / Q000187:drug effects*; D013329:Structure-Activity Relationship
D000970:Antineoplastic Agents; D001584:Benzoxepins; D020847:Estrogen Receptor Modulators; D011960:Receptors, Estrogen