Novel MTHFD Inhibitor Compounds for Acute Myeloid Leukemia Treatment

Aggregating chemical compound data from a drug discovery project targeting MTHFD enzymes for Acute Myeloid Leukemia (AML) therapy. It includes information on a highly selective MTHFD2 inhibitor (compound 31) and a dual MTHFD1/2 inhibitor (compound 34), identified through systematic structure-activity optimization and X-ray crystallography analysis. The dataset is published on figshare under a CC BY-NC 4.0 license by author Hao Lin.

Use Cases

• Analyze structure-activity relationships for MTHFD inhibitors using compound potency data against AML cell lines.
• Compare the antiproliferative activities of the dual inhibitor compound 34 versus the reference compound DS18561882 across different AML cell lines.
• Examine X-ray crystallography data to understand how modifications to the aminosulfonamide motif dictate isoform selectivity between MTHFD1 and MTHFD2.
• Evaluate tumor regression data from MOLM-13 xenograft models for the dual inhibitor compound 34 to assess in vivo efficacy.

Strengths

• Data is derived from systematic structure-activity optimization and X-ray crystallography analysis.
• Includes in vivo efficacy data from MOLM-13 xenograft models demonstrating tumor regression.
• Dataset is focused on a specific therapeutic target (MTHFD enzymes) for a defined cancer type (Acute Myeloid Leukemia).

Limitations

• The dataset is very small at 5.4 KB, indicating limited scope and likely a small number of compounds or data points.
• Specific column names, row counts, and sample data are unavailable, limiting immediate analytical utility.
• Data is focused on a specific research project's findings and may not be generalizable to other cancer types or inhibitor classes.

Provenance

Source

figshare

Collection Method

Data generated from systematic structure-activity optimization, X-ray crystallography, and in vitro/in vivo biological assays.

Time Range

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Freshness

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Geography

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