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Heat Shock Protein 90 (Hsp90) as Anti-cancer Target for Drug Discovery: An Ample Computational Perspective.

Kumalo, Hezekiel M; Bhakat, Soumendranath LU and Soliman, Mahmoud E (2015) In Chemical Biology and Drug Design 86(5). p.1131-1160
Abstract
There are over 100 different types of cancer, and each is classified based on the type of cell that is initially affected. If left untreated, cancer can result in serious health problems and eventually death. Recently the paradigm of cancer chemotherapy has evolved to use a combination approach, which involves the use of multiple drugs each of which targets an individual protein. Inhibition of heat shock protein 90 (Hsp90) is one of the novel key cancer targets. Because of its ability to target several signaling pathways, Hsp90 inhibition emerged as a useful strategy to treat a wide variety of cancers. Molecular modeling approaches and methodologies have become "close counterparts" to experiments in drug design and discovery workflows. A... (More)
There are over 100 different types of cancer, and each is classified based on the type of cell that is initially affected. If left untreated, cancer can result in serious health problems and eventually death. Recently the paradigm of cancer chemotherapy has evolved to use a combination approach, which involves the use of multiple drugs each of which targets an individual protein. Inhibition of heat shock protein 90 (Hsp90) is one of the novel key cancer targets. Because of its ability to target several signaling pathways, Hsp90 inhibition emerged as a useful strategy to treat a wide variety of cancers. Molecular modeling approaches and methodologies have become "close counterparts" to experiments in drug design and discovery workflows. A wide-range of molecular modeling approaches have been developed, each of which has different objectives and outcomes. In this review, we provide an up-to-date systematic overview on the different computational models implemented towards the design of Hsp90 inhibitors as anti-cancer agents. Although this is the main emphasis of this review, different topics such as; background and current statistics of cancer, different anti-cancer targets including Hsp90, the structure and function of Hsp90 from an experimental perspective e.g. X-ray and NMR are also addressed in this report. To the best of our knowledge, this review is the first account, which comprehensively outlines various molecular modeling efforts directed towards identification of anti-cancer drugs targeting Hsp90. We believe that the information, methods and perspectives highlighted in this report would assist researchers in the discovery of potential anti-cancer agents. This article is protected by copyright. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Biology and Drug Design
volume
86
issue
5
pages
1131 - 1160
publisher
Wiley-Blackwell
external identifiers
  • pmid:25958815
  • wos:000365404100019
  • scopus:84944074758
ISSN
1747-0285
DOI
10.1111/cbdd.12582
language
English
LU publication?
yes
id
4649398e-c369-4c2b-8fd8-4b04167d4c04 (old id 5453582)
date added to LUP
2015-06-23 17:34:18
date last changed
2017-07-30 03:19:14
@article{4649398e-c369-4c2b-8fd8-4b04167d4c04,
  abstract     = {There are over 100 different types of cancer, and each is classified based on the type of cell that is initially affected. If left untreated, cancer can result in serious health problems and eventually death. Recently the paradigm of cancer chemotherapy has evolved to use a combination approach, which involves the use of multiple drugs each of which targets an individual protein. Inhibition of heat shock protein 90 (Hsp90) is one of the novel key cancer targets. Because of its ability to target several signaling pathways, Hsp90 inhibition emerged as a useful strategy to treat a wide variety of cancers. Molecular modeling approaches and methodologies have become "close counterparts" to experiments in drug design and discovery workflows. A wide-range of molecular modeling approaches have been developed, each of which has different objectives and outcomes. In this review, we provide an up-to-date systematic overview on the different computational models implemented towards the design of Hsp90 inhibitors as anti-cancer agents. Although this is the main emphasis of this review, different topics such as; background and current statistics of cancer, different anti-cancer targets including Hsp90, the structure and function of Hsp90 from an experimental perspective e.g. X-ray and NMR are also addressed in this report. To the best of our knowledge, this review is the first account, which comprehensively outlines various molecular modeling efforts directed towards identification of anti-cancer drugs targeting Hsp90. We believe that the information, methods and perspectives highlighted in this report would assist researchers in the discovery of potential anti-cancer agents. This article is protected by copyright. All rights reserved.},
  author       = {Kumalo, Hezekiel M and Bhakat, Soumendranath and Soliman, Mahmoud E},
  issn         = {1747-0285},
  language     = {eng},
  number       = {5},
  pages        = {1131--1160},
  publisher    = {Wiley-Blackwell},
  series       = {Chemical Biology and Drug Design},
  title        = {Heat Shock Protein 90 (Hsp90) as Anti-cancer Target for Drug Discovery: An Ample Computational Perspective.},
  url          = {http://dx.doi.org/10.1111/cbdd.12582},
  volume       = {86},
  year         = {2015},
}