Evidence map›Paper›PMID 40586429›Full record

ArticleJournal of chemical information and modeling2025

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

Hawau Abdulsalam, Mark A Hix, Livia Philip, Kartikey Singh, Alice R Walker, Hien M Nguyen

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

4 citing papers in PubMed.

  1. Article
  2. Article
  3. Integrated 3D-QSAR and cellular profiling of sulfated and hydrophobic aminoglycoside glycans to modulate heparanase activity.Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents · 2026
    Article
  4. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Hawau AbdulsalamDepartment of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.ORCID 0009-0004-1837-2352
Mark A HixDepartment of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.
Livia PhilipDepartment of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.
Kartikey SinghDepartment of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.ORCID 0000-0002-0257-7415
Alice R WalkerDepartment of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.ORCID 0000-0002-8617-3425
Hien M NguyenDepartment of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.ORCID 0000-0002-7626-8439

Funding

Tailoring Structures of Sulfated Oligosaccharides for Modulating Heparanase ActivityR01GM098285 · NIGMS · WAYNE STATE UNIVERSITY · PI NGUYEN, HIEN M · 2012 to 2022
$3.5M
Development of Catalytic Glycosylations and Biologically Important GlycosaminoglycansR35GM149213 · NIGMS · WAYNE STATE UNIVERSITY · PI Hien M Nguyen · 2023 to 2026
$1.9M
Computational rational design of carbohydrate and nucleic acid drug scaffolds with multiscale dynamics and AIR35GM154949 · NIGMS · WAYNE STATE UNIVERSITY · PI Alice Rachel Walker · 2024 to 2026
$1.1M
500 MHz NMR SpectrometerS10OD028488 · OD · WAYNE STATE UNIVERSITY · PI ALLEN, MATTHEW J · 2021 to 2021
$600k
NIGMS NIH HHS R01 GM098285NIGMS NIH HHS R35 GM149213NIGMS NIH HHS R35 GM154949NIH HHS S10 OD028488
6 · The paper itself

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 metastasis. This study employed a computational design approach to develop novel HPSE inhibitors using aminoglycoside paromomycin and neomycin analogs. These analogs feature a defined

Indexed as

Drug DesignEnzyme InhibitorsGlucuronidaseMolecular Docking SimulationMolecular Dynamics SimulationCatalytic DomainHeparanaseHumansHydrophobic and Hydrophilic InteractionsLigandsNeomycinEnzyme InhibitorsGlucuronidaseHeparanaseLigandsNeomycin

Identifiers

PMID40586429
PMCPMC12379015

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.