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Exhaustive search of the configurational space of heat‐shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking
Journal of Computational Chemistry
◽
10.1002/jcc.26203
◽
2020
◽
Vol 41
(17)
◽
pp. 1606-1615
◽
Cited By ~ 1
Author(s):
Gert‐Jan Bekker
◽
Mitsugu Araki
◽
Kanji Oshima
◽
Yasushi Okuno
◽
Narutoshi Kamiya
Keyword(s):
Molecular Dynamics
◽
Heat Shock
◽
Heat Shock Protein
◽
Heat Shock Protein 90
◽
Exhaustive Search
◽
Configurational Space
◽
Dynamic Docking
Download Full-text
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Identification of the naphthoquinone derivative inhibitors binding site in heat shock protein 90: an induced-fit docking, molecular dynamics and 3D-QSAR study
Journal of Biomolecular Structure and Dynamics
◽
10.1080/07391102.2020.1803134
◽
2020
◽
pp. 1-11
Author(s):
Claudio Godoy-Castillo
◽
Nicolas Bravo-Acuña
◽
Gloria Arriagada
◽
Fernando Faunes
◽
Roberto León
◽
...
Keyword(s):
Molecular Dynamics
◽
Heat Shock
◽
Heat Shock Protein
◽
Binding Site
◽
Heat Shock Protein 90
◽
3D Qsar
◽
Induced Fit Docking
◽
Induced Fit
◽
Qsar Study
◽
Naphthoquinone Derivative
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Understanding conformational diversity of heat shock protein 90 (HSP90) and binding features of inhibitors to HSP90 via molecular dynamics simulations
Chemical Biology & Drug Design
◽
10.1111/cbdd.13623
◽
2019
◽
Vol 95
(1)
◽
pp. 87-103
◽
Cited By ~ 1
Author(s):
Fangfang Yan
◽
Xinguo Liu
◽
Shaolong Zhang
◽
Qinggang Zhang
◽
Jianzhong Chen
Keyword(s):
Molecular Dynamics
◽
Heat Shock
◽
Heat Shock Protein
◽
Molecular Dynamics Simulations
◽
Heat Shock Protein 90
◽
Conformational Diversity
◽
Dynamics Simulations
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In silico design novel vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation
Journal of Biomolecular Structure and Dynamics
◽
10.1080/07391102.2019.1671900
◽
2019
◽
Vol 38
(14)
◽
pp. 4313-4324
Author(s):
Qingxiu He
◽
Han Chu
◽
Yuxuan Wang
◽
Haiqiong Guo
◽
Yuanqiang Wang
◽
...
Keyword(s):
Molecular Dynamics
◽
Molecular Docking
◽
Molecular Dynamics Simulation
◽
Heat Shock
◽
Heat Shock Protein
◽
In Silico
◽
Heat Shock Protein 90
◽
3D Qsar
◽
Dynamics Simulation
◽
In Silico Design
Download Full-text
Glycyrrhizin effects rat hepatocytes via the reduction of heat shock protein 90 expression
Gastroenterology
◽
10.1016/s0016-5085(01)81776-5
◽
2001
◽
Vol 120
(5)
◽
pp. A357-A357
Author(s):
T YOH
◽
T NAKASHIMA
◽
Y SUMIDA
◽
Y KAKISAKA
◽
H ISHIKAWA
◽
...
Keyword(s):
Heat Shock
◽
Heat Shock Protein
◽
Heat Shock Protein 90
◽
Rat Hepatocytes
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430: Modulation of Heat-Shock Protein 90 (HSP90) Client Protein Expression in Prostate Cancer Cells by a Novel Novobiocin Analog
The Journal of Urology
◽
10.1016/s0022-5347(18)32686-7
◽
2006
◽
Vol 175
(4S)
◽
pp. 140-140
Author(s):
Manlio A. Goetzl
◽
Brian S. Blagg
◽
Benjamin Cronk
◽
Len Neckers
◽
Jeffrey M. Holzbeierlein
Keyword(s):
Prostate Cancer
◽
Heat Shock
◽
Heat Shock Protein
◽
Protein Expression
◽
Cancer Cells
◽
Heat Shock Protein 90
◽
Client Protein
◽
Prostate Cancer Cells
◽
Hsp90 Client Protein
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Faculty Opinions recommendation of High throughput virus-induced gene silencing implicates heat shock protein 90 in plant disease resistance.
Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
◽
10.3410/f.1003609.201391
◽
2003
◽
Author(s):
Jen Sheen
Keyword(s):
Disease Resistance
◽
Heat Shock
◽
Heat Shock Protein
◽
Gene Silencing
◽
High Throughput
◽
Plant Disease Resistance
◽
Plant Disease
◽
Heat Shock Protein 90
◽
Virus Induced Gene Silencing
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Faculty Opinions recommendation of Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues.
Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
◽
10.3410/f.1082926.535884
◽
2007
◽
Author(s):
Homer Pearce
Keyword(s):
Heat Shock
◽
Heat Shock Protein
◽
Molecular Chaperone
◽
Heat Shock Protein 90
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Faculty Opinions recommendation of A pivotal role for heat shock protein 90 in Ewing sarcoma resistance to anti-insulin-like growth factor 1 receptor treatment: in vitro and in vivo study.
Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
◽
10.3410/f.1120094.576229
◽
2008
◽
Author(s):
Richard Riedel
Keyword(s):
Growth Factor
◽
Heat Shock
◽
Heat Shock Protein
◽
Ewing Sarcoma
◽
Heat Shock Protein 90
◽
Pivotal Role
◽
In Vivo Study
◽
Insulin Like Growth Factor
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Faculty Opinions recommendation of Heat shock protein 90 as a drug target against protozoan infections: biochemical characterization of HSP90 from Plasmodium falciparum and Trypanosoma evansi and evaluation of its inhibitor as a candidate drug.
Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
◽
10.3410/f.5285957.5228055
◽
2010
◽
Author(s):
Leonard Neckers
Keyword(s):
Plasmodium Falciparum
◽
Heat Shock
◽
Heat Shock Protein
◽
Drug Target
◽
Biochemical Characterization
◽
Heat Shock Protein 90
◽
Trypanosoma Evansi
◽
Candidate Drug
◽
Protozoan Infections
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Faculty Opinions recommendation of Charged linker sequence modulates eukaryotic heat shock protein 90 (Hsp90) chaperone activity.
Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
◽
10.3410/f.717953651.793459252
◽
2012
◽
Author(s):
Norma A Bobadilla
◽
Jonatan Barrera Chimal
Keyword(s):
Heat Shock
◽
Heat Shock Protein
◽
Heat Shock Protein 90
◽
Chaperone Activity
◽
Linker Sequence
◽
Hsp90 Chaperone
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