ArticleMolecules (Basel, Switzerland)2015
Development and validation of a docking-based virtual screening platform for the identification of new lactate dehydrogenase inhibitors.
Article in Molecules (Basel, Switzerland), 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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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.
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.
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Who cites it
9 citing papers in PubMed.
- The discovery of monoamine oxidase inhibitors: virtual screening and in vitro inhibition potencies.Journal of computer-aided molecular design · 2026Article
- TargetingFrontiers in bioinformatics · 2025Article
- Natural Product Identification and Molecular Docking Studies of Leishmania Major Pteridine Reductase Inhibitors.Pharmaceuticals (Basel, Switzerland) · 2024Article
- In-vitro biological evaluation of 3,3',5,5'-tetramethoxy-biphenyl-4,4'-diol and molecular docking studies on trypanothione reductase and Gp63 from Leishmania amazonensis demonstrated anti-leishmania potential.Scientific reports · 2023Article
- Article
- Molecular Structure-Based Screening of the Constituents ofCurrent issues in molecular biology · 2022Article
- Molecular Docking, Validation, Dynamics Simulations, and Pharmacokinetic Prediction of Phytochemicals Isolated FromBioinformatics and biology insights · 2022Article
- Glycosylated Nanoparticles for Cancer-Targeted Drug Delivery.Frontiers in oncology · 2020Review
- Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors.Molecules (Basel, Switzerland) · 2017Review
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
The human muscle isoform of lactate dehydrogenase (hLDH5) is one of the key enzymes of the glycolytic process. It is overexpressed in metastatic cancer cells and is linked to the vitality of tumors in hypoxic conditions. With the aim of identifying new hLDH5 inhibitors, a fully automated docking-based virtual screening platform was developed by considering different protein conformations and the consensus docking strategy. In order to verify the reliability of the reported platform, a small database of about 10,000 compounds was filtered by using this method, and the top-ranked compounds were tested for their hLDH5 inhibition activity. Enzymatic assays revealed that, among the ten selected compounds, two proved to efficiently inhibit enzyme activity with IC50 values in the micromolar range. These results demonstrate the validity of the methodologies we followed, encouraging the application of larger virtual screening studies and further refinements of the platform. Furthermore, the two active compounds herein described may be considered as interesting leads for the development of new and more efficient LDH inhibitors.
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Registered trials
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.