Anti-cancer Glycosidase Inhibitors from Natural Products: A Computational and Molecular Modelling Perspective

ISSN: 1875-5992 (Online)
ISSN: 1871-5206 (Print)

Volume 17, 14 Issues, 2017

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Anti-Cancer Agents in Medicinal Chemistry

Formerly: Current Medicinal Chemistry - Anti-Cancer Agents

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  • 27th of 59 in Chemistry, Medicinal

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Michelle Prudhomme
Institut de Chimie de Clermont-Ferrand
Université Clermont Auvergne

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Anti-cancer Glycosidase Inhibitors from Natural Products: A Computational and Molecular Modelling Perspective

Anti-Cancer Agents in Medicinal Chemistry, 15(8): 933-946.

Author(s): Ashona Singh, Ndumiso Mhlongo and Mahmoud ES Soliman.

Affiliation: School of Health Sciences, University of KwaZulu-Natal, Westville, Durban 4001, South Africa.


The implementation of computational tools in pharmaceutics has proven an effectual strategy in creating harmony between the physical and chemical aspects of proteins and potential inhibitors. This is achieved by bringing to life the three dimensional retrospect of biological systems, which takes into consideration computational approaches such as quantum mechanics and molecular dynamics to facilitate drug design and discovery. In this work, we aim to provide a summary of the computational aspects of naturally derived anti-cancer inhibitors targeting the enzyme family of glycosidases. Our study offers insight into the evolution of drug discovery, molecular modelling and molecular binding modes of natural product inhibitors associated with glycosidase enzymes.


Anti-cancer inhibitors, glycosidase, molecular modelling, natural product.

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Article Details

Volume: 15
Issue Number: 8
First Page: 933
Last Page: 946
Page Count: 14
DOI: 10.2174/1871520615666150223123622
Price: $58
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