Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics

Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics

Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been repo...

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Bibliographic Details
Main Authors: Shraddha Parate, Vikas Kumar, Danishuddin, Jong Chan Hong, Keun Woo Lee
Format: Article
Language:English
Published: MDPI AG 2021-05-01
Series:International Journal of Molecular Sciences
Subjects:
Heparanase
pharmacophore modeling
virtual screening
molecular docking
molecular dynamics simulations
binding free energy calculations
Online Access:https://www.mdpi.com/1422-0067/22/10/5311

Internet

https://www.mdpi.com/1422-0067/22/10/5311

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