Ligand-based virtual screening to predict inhibitors against metastatic lymph node 64

被引：6

作者：

Chitrala, Kumaraswamy Naidu ^{[1
]}

Yeguvapalli, Suneetha ^{[1
]}

机构：

[1] Sri Venkateswara Univ, Dept Zool, Tirupati 517502, Andhra Pradesh, India

来源：

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION | 2014年 / 34卷 / 02期

关键词：

MLN64; StARD3; steroidogenesis; virtual screening; zinc database; START DOMAINS; CHOLESTEROL; MLN64; STEROIDOGENESIS; TRANSPORT;

D O I：

10.3109/10799893.2013.862269

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Conversion of cholesterol to pregnenolone is the rate-limiting step in steroidogenesis, which is mediated by StAR protein. The mammalian genome contains 15 START domain proteins (StARD1-StARD15) of which C-terminal cytosolic START domain of metastatic lymph node 64 (MLN64 or StARD3), is known to mobilize cholesterol and proposed to participate in steroidogenesis. Being a key in steroidogenesis, it is of interest to identify new inhibitors that are able to bind MLN64 protein. In the present study, we used ligand-based virtual screening approach to identify ligands from the ZINC database with D(-)-Tartaric Acid (TAR) serving as a template.

引用

页码：92 / 96

页数：5

共 16 条

[1] Realism about PDB
Berman, Helen M.
Henrick, Kim
Nakamura, Haruki
Markley, John
Bourne, Philip E.
Westbrook, John
[J]. NATURE BIOTECHNOLOGY, 2007, 25 (08) : 843 - 844
[2] Overexpression of STARD3 in human monocyte/macrophages induces an anti-atherogenic lipid phenotype
Borthwick, Faye
Allen, Anne-Marie
Taylor, Janice M.
Graham, Annette
[J]. CLINICAL SCIENCE, 2010, 119 (7-8) : 265 - 272
[3] Cai W, 2009, CANCER RES, V69, p877S
[4] Dallakyan S., 2008, PyRx-Python Prescription v. 0.8
[5] In silico pharmacology for drug discovery:: methods for virtual ligand screening and profiling
Ekins, S.
Mestres, J.
Testa, B.
[J]. BRITISH JOURNAL OF PHARMACOLOGY, 2007, 152 (01) : 9 - 20
[6] ZINC - A free database of commercially available compounds for virtual screening
Irwin, JJ
Shoichet, BK
[J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2005, 45 (01) : 177 - 182
[7] Identification of StARD3 as a Lutein-Binding Protein in the Macula of the Primate Retina
Li, Binxing
Vachali, Preejith
Frederick, Jeanne M.
Bernstein, Paul S.
[J]. BIOCHEMISTRY, 2011, 50 (13) : 2541 - 2549
[8] MLN64 Transport to the Late Endosome Is Regulated by Binding to 14-3-3 via a Non-canonical Binding Site
Liapis, Anastasia
Chen, Fannie W.
Davies, Joanna P.
Wang, Rong
Ioannou, Yiannis A.
[J]. PLOS ONE, 2012, 7 (04):
[9] Early steps in steroidogenesis: intracellular cholesterol trafficking
Miller, Walter L.
Bose, Himangshu S.
[J]. JOURNAL OF LIPID RESEARCH, 2011, 52 (12) : 2111 - 2135
[10] Modeling the structure of the StART domains of MLN64 and StAR proteins in complex with cholesterol
Murcia, Marta
Faraldo-Gomez, Jose D.
Maxfield, Frederick R.
Roux, Benoit
[J]. JOURNAL OF LIPID RESEARCH, 2006, 47 (12) : 2614 - 2630

← 1 2 →