From Docking and Molecular Dynamics to Experimental Discovery: Exploring the Hydrophobic Landscapes of Heparanase to Design Potent Inhibitors

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DOI:10.1021/acs.jcim.5c00371
作者：Hawau Abdulsalam,?Mark A. Hix,?Livia Philip,?Kartikey Singh,?Alice R. Walker* and Hien M. Nguyen*,?
文献类型：期刊论文
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American Chemical Society (ACS)

Abstract：Heparanase (HPSE), a glycoside hydrolase that cleaves heparan sulfate chains, plays a crucial role in cancer progression by remodeling the extracellular matrix and facilitating tumor metasta

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