Sequence to structure approach of estrogen receptor alpha and ligand interactions.

摘要: Estrogen receptors (ERs) are steroid located in the cytoplasm and on nuclear membrane. The sequence similarities of human ERα, mouse rat dog cat ERα above 90%, but structures may different among species. can be agonist antagonist depending its target organs. This hormone play roles several diseases including breast cancer. There variety relative binding affinity (RBA) ER estrogen species comparison to 17β-estradiol (E2), which is a natural ligand both ERβ. RBA as following: diethyl stilbestrol (DES)>hexestrol>dienestrol>17β-estradiol (E2)>17-estradiol>moxestrol>estriol (E3)>4-OH estradiol>estrone-3-sulfate. mimetic drugs, selective receptor modulators (SERMs), have been used hormonal therapy for positive cancer postmenopausal osteoporosis. In postgenomic era, silico models become effective tools modern drug discovery. These provide three dimensional many transmembrane enzymes, important targets de novo development. estimated inhibition constants (Ki) from computational model screening procedure before vitro vivo studies.