Reverse Fosmidomycin Analogs: Inhibitor Binding and Activity Data

A dataset likely contains experimental results for reverse fosmidomycin analogs designed as bisubstrate inhibitors of the Plasmodium falciparum enzyme DXR. The data includes specific IC50 and Ki values for enzymatic inhibition and antiplasmodial activity, as described in the associated research article. The dataset was uploaded by Stefan Höfmann to figshare on May 6, 2026.

Use Cases

• Modeling inhibitor potency based on IC50 values for PfDXR enzyme inhibition.
• Correlating structural modifications with antiplasmodial activity based on PfDd2 IC50 values.
• Analyzing binding mode and competitive inhibition patterns based on Ki values with NADPH.
• Comparing the efficacy of lipophilic substituents versus the polar phosphonic acid group of fosmidomycin.

Strengths

• Includes specific quantitative measurements, such as IC50 = 4.3 nM for PfDXR inhibition and IC50 = 0.28 μM for antiplasmodial activity.
• Provides mechanistic insights from co-crystallization studies showing binding within the NADPH site.
• Dataset is openly available under a CC-BY-NC-4.0 license.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is very small (3.4 KB), indicating limited scope.

Provenance

Source

figshare

Freshness

Last updated 2026-05-06 12:06:12; freshness should be verified.