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Modelling Biding Affinity of Steroids to Zebrafish Sex Hormone Binding Globulin

หน่วยงาน Central Drug Research Institute (CDRI), India

รายละเอียด

ชื่อเรื่อง : Modelling Biding Affinity of Steroids to Zebrafish Sex Hormone Binding Globulin
นักวิจัย : Saxena, A K , Devillers, J , Pery, A R R , Beaudouin, R , Balaramnavar, V M , Ahmed, S
คำค้น : Danio Rerio , Zebrafish SHBG , Ecotoxicology , Homology Modelling , Molecular Docking , Pharmacophore Modelling
หน่วยงาน : Central Drug Research Institute (CDRI), India
ผู้ร่วมงาน : -
ปีพิมพ์ : 2557
อ้างอิง : SAR & QSAR in Environmental Research, 2014, 25(5), 407-21 , http://hdl.handle.net/123456789/1363
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : CSIR-CDRI Communication No. 8663
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

The circulating endogenous steroids bound to a highly specific sex hormone-binding globulin (SHBG) and in lower-affinity to the proteins like the corticosteroid-binding protein and albumin in vertebrate including fish are transported in the bloodstream. It is generally believed that the glycoprotein SHBG protects these steroids from rapid metabolic degradation and thus intervenes in its availability at the target tissues. Endocrine disrupters binding to SHBG impact the normal activity of natural steroids. Because the xenobiotics are primarily released in the aquatic environment, there is a need to evaluate the binding affinity of xenosteroid mimics on fish SHBG, especially on zebrafish (Danio rerio), a small freshwater fish originating from India, which is widely used in ecotoxicology, toxicology, and genetics. Hence a zebrafish SHBG (zfSHBG) homology model was developed using human SHBG (hSHBG) receptor structure. It was shown that the interactions with amino acids viz. Ser-36, Asp-59 and Thr-54 were important for binding affinity. This model in addition to the HipHop based pharmacophore model well differentiated between zebrafish binders and non binders. Our study provide insights into the mechanism of action of endocrine disruptors in the zebrafish as well as a useful tool to identify anthropogenic compounds inhibiting zfSHBG.

บรรณานุกรม :
Saxena, A K , Devillers, J , Pery, A R R , Beaudouin, R , Balaramnavar, V M , Ahmed, S . (2557). Modelling Biding Affinity of Steroids to Zebrafish Sex Hormone Binding Globulin.
    : Central Drug Research Institute (CDRI), India.
Saxena, A K , Devillers, J , Pery, A R R , Beaudouin, R , Balaramnavar, V M , Ahmed, S . 2557. "Modelling Biding Affinity of Steroids to Zebrafish Sex Hormone Binding Globulin".
    : Central Drug Research Institute (CDRI), India.
Saxena, A K , Devillers, J , Pery, A R R , Beaudouin, R , Balaramnavar, V M , Ahmed, S . "Modelling Biding Affinity of Steroids to Zebrafish Sex Hormone Binding Globulin."
    : Central Drug Research Institute (CDRI), India, 2557. Print.
Saxena, A K , Devillers, J , Pery, A R R , Beaudouin, R , Balaramnavar, V M , Ahmed, S . Modelling Biding Affinity of Steroids to Zebrafish Sex Hormone Binding Globulin. : Central Drug Research Institute (CDRI), India; 2557.