Exploring the Binding Site of C-Terminal Hsp90 Inhibitors

被引：26

作者：

Sgobba, Miriam ^{[1
]}

Forestiero, Rosetta ^{[1
]}

Degliesposti, Gianluca ^{[1
]}

Rastelli, Giulio ^{[1
]}

机构：

[1] Univ Modena & Reggio Emilia, Dipartimento Sci Farmaceut, I-41125 Modena, Italy

来源：

JOURNAL OF CHEMICAL INFORMATION AND MODELING | 2010年 / 50卷 / 09期

关键词：

ACCOMMODATING RECEPTOR FLEXIBILITY; ESCHERICHIA-COLI HSP90; HEAT-SHOCK-PROTEIN; ATP-BINDING; ANTIPROLIFERATIVE ACTIVITY; CONFORMATIONAL STATES; AUTOMATED PROCEDURE; NOVOBIOCIN ANALOGS; BLIND DOCKING; FREE-ENERGIES;

D O I：

10.1021/ci1001857

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The 90 kDa heat shock protein (Hsp90) is a prominent target for anticancer drug discovery. While its N-terminal domain has been widely exploited, several lines of evidence are emerging in favor of targeting its C-terminal domain to conceive innovative drugs based on perturbation of the dimer interface. Here, we describe the application of several computational approaches useful to predict the location of the C-terminal binding site.

引用

页码：1522 / 1528

页数：7

共 44 条

[1] Crystal structure of an Hsp90-nucleotide-p23/Sba1 closed chaperone complex [J].

Ali, MMU ;

Roe, SM ;

Vaughan, CK ;

Meyer, P ;

Panaretou, B ;

Piper, PW ;

Prodromou, C ;

Pearl, LH .

NATURE, 2006, 440 (7087) :1013-1017

[2] Modulation of chaperone function and cochaperone interaction by novobiocin in the C-terminal domain of Hsp90 - Evidence that coumarin antibiotics disrupt Hsp90 dimerization [J].

Allan, RK ;

Mok, D ;

Ward, BK ;

Ratajczak, T .

JOURNAL OF BIOLOGICAL CHEMISTRY, 2006, 281 (11) :7161-7171

[3] Mutant conformation of p53 translated in vitro or in vivo requires functional HSP90 [J].

Blagosklonny, MV ;

Toretsky, J ;

Bohen, S ;

Neckers, L .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1996, 93 (16) :8379-8383

[4] Apo-Hsp90 coexists in two open conformational states in solution [J].

Bron, Patrick ;

Giudice, Emmanuel ;

Rolland, Jean-Paul ;

Buey, Ruben M. ;

Barbier, Pascale ;

Diaz, J. Fernando ;

Peyrot, Vincent ;

Thomas, Daniel ;

Garnier, Cyrille .

BIOLOGY OF THE CELL, 2008, 100 (07) :413-425

[5] Development of novobiocin analogues that manifest anti-proliferative activity against several cancer cell lines [J].

Burlison, Joseph A. ;

Avila, Christopher ;

Vielhauer, George ;

Lubbers, Donna J. ;

Holzbeierlein, Jeffrey ;

Blagg, Brian S. J. .

JOURNAL OF ORGANIC CHEMISTRY, 2008, 73 (06) :2130-2137

[6] Synthesis and evaluation of coumermycin A1 analogues that inhibit the Hsp90 protein folding machinery [J].

Burlison, Joseph A. ;

Blagg, Brian S. J. .

ORGANIC LETTERS, 2006, 8 (21) :4855-4858

[7] Novobiocin: Redesigning a DNA gyrase inhibitor for selective inhibition of Hsp90 [J].

Burlison, Joseph A. ;

Neckers, Len ;

Smith, Andrew B. ;

Maxwell, Anthony ;

Blagg, Brian S. J. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (48) :15529-15536

[8] HSP90 regulates cell survival via inositol hexakisphosphate kinase-2 [J].

Chakraborty, Anutosh ;

Koldobskiy, Michael A. ;

Sixt, Katherine M. ;

Juluri, Krishna R. ;

Mustafa, Asif K. ;

Snowman, Adele M. ;

Van Rossum, Damian B. ;

Patterson, Randen L. ;

Snyder, Solomon H. .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2008, 105 (04) :1134-1139

[9] Design and Discovery of Plasmepsin II Inhibitors Using an Automated Workflow on Large-Scale Grids [J].

Degliesposti, Gianluca ;

Kasam, Vinod ;

Da Costa, Ana ;

Kang, Hee-Kyoung ;

Kim, Nahyun ;

Kim, Do-Won ;

Breton, Vincent ;

Kim, Doman ;

Rastelli, Giulio .

CHEMMEDCHEM, 2009, 4 (07) :1164-1173

[10] Structures of GRP94-Nucleotide complexes reveal mechanistic differences between the hsp90 chaperones [J].

Dollins, D. Eric ;

Warren, Joshua J. ;

Immormino, Robert M. ;

Gewirth, Daniel T. .

MOLECULAR CELL, 2007, 28 (01) :41-56

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