Anti-cancer Glycosidase Inhibitors from Natural Products: A Computational and Molecular Modelling Perspective
Mahmoud E.S. Soliman.
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
Keywords: Anti-cancer inhibitors, glycosidase, molecular modelling, natural product.
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