Abstract
Since the late 1990s, novel insights into molecular biology and carcinogenesis enabled the rational design of mechanism-based anticancer therapeutics. The large number of natural product (NP)-derived drugs currently under clinical evaluation and the recent approval of temsirolimus (Torisel®) as a first mTOR protein kinase inhibitor indicate that NPs have to be considered not only as a seminal source of cytotoxic, but also as a source of molecularly targeted agents. Whereas molecular modeling is well established as an important and successful method to discover and rationalize bioactivities in medicinal chemistry research, its application has proven to be also a powerful tool in the field of NPs. This review highlights the impact of computer-assisted approaches on NPs as molecularly targeted anticancer drugs. Examples of applications are provided focusing on innovative targets such as protein kinases, tumour vasculature, epigenetic modulators, heat shock protein (Hsp) 90, and direct apoptosis enhancers.
Keywords: Natural product, phytochemicals, cancer, drug discovery, in silico techniques, molecular modeling, virtual screening, docking
Current Pharmaceutical Design
Title: Natural Products in Structure-Assisted Design of Molecular Cancer Therapeutics
Volume: 16 Issue: 15
Author(s): Petra H. Pfisterer, Gerhard Wolber, Thomas Efferth, Judith M. Rollinger and Hermann Stuppner
Affiliation:
Keywords: Natural product, phytochemicals, cancer, drug discovery, in silico techniques, molecular modeling, virtual screening, docking
Abstract: Since the late 1990s, novel insights into molecular biology and carcinogenesis enabled the rational design of mechanism-based anticancer therapeutics. The large number of natural product (NP)-derived drugs currently under clinical evaluation and the recent approval of temsirolimus (Torisel®) as a first mTOR protein kinase inhibitor indicate that NPs have to be considered not only as a seminal source of cytotoxic, but also as a source of molecularly targeted agents. Whereas molecular modeling is well established as an important and successful method to discover and rationalize bioactivities in medicinal chemistry research, its application has proven to be also a powerful tool in the field of NPs. This review highlights the impact of computer-assisted approaches on NPs as molecularly targeted anticancer drugs. Examples of applications are provided focusing on innovative targets such as protein kinases, tumour vasculature, epigenetic modulators, heat shock protein (Hsp) 90, and direct apoptosis enhancers.
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Cite this article as:
H. Pfisterer Petra, Wolber Gerhard, Efferth Thomas, M. Rollinger Judith and Stuppner Hermann, Natural Products in Structure-Assisted Design of Molecular Cancer Therapeutics, Current Pharmaceutical Design 2010; 16 (15) . https://dx.doi.org/10.2174/138161210791164027
DOI https://dx.doi.org/10.2174/138161210791164027 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |

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