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A High-Throughput Screening Identifies MICU1 Targeting Compounds.

Giulia Di Marco1, Francesca Vallese1, Benjamin Jourde2

  • 1Department of Biomedical Sciences, University of Padua, 35131 Padua, Italy.

Cell Reports
|February 21, 2020
PubMed
Summary

Researchers identified two compounds, MCU-i4 and MCU-i11, that inhibit mitochondrial calcium uptake by targeting the MICU1 protein. These findings highlight MICU1

Keywords:
HTSMCUMICU1active compoundshigh-throughput screeningmitochondrial calcium uniportermitochondrial calcium uptakemolecular modelingsmall molecules

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Area of Science:

  • Cell Biology
  • Biochemistry
  • Pharmacology

Background:

  • Mitochondrial calcium (Ca2+) uptake is crucial for cellular function and is regulated by the mitochondrial calcium uniporter (MCU) complex located in the inner mitochondrial membrane (IMM).
  • Dysregulation of mitochondrial Ca2+ homeostasis is implicated in various pathologies.

Purpose of the Study:

  • To identify novel small molecules that modulate mitochondrial Ca2+ uptake.
  • To elucidate the molecular mechanism of action for identified compounds.
  • To explore the physiological role of mitochondrial Ca2+ uptake in muscle growth.

Main Methods:

  • High-throughput screening of a 44,000-compound library to identify modulators of mitochondrial Ca2+ uptake.
  • In silico molecular docking simulations to predict binding sites.
  • Cell-based assays using MICU1-silenced or mutated cells.
  • Ex vivo experiments to assess the physiological impact.

Main Results:

  • Two compounds, MCU-i4 and MCU-i11, were identified that effectively decrease mitochondrial Ca2+ influx.
  • Docking simulations indicated that these compounds bind to a specific cleft in MICU1, a regulatory component of the MCU complex.
  • The inhibitory effects of MCU-i4 and MCU-i11 were abolished in cells lacking functional MICU1 or expressing mutated MICU1.
  • Ex vivo studies demonstrated a significant role for mitochondrial Ca2+ uptake in muscle growth.

Conclusions:

  • MCU-i4 and MCU-i11 are potent inhibitors of mitochondrial Ca2+ uptake, acting via direct binding to MICU1.
  • These compounds serve as valuable chemical probes for studying MCU complex function.
  • The identified molecules represent promising lead compounds for developing MICU1-targeting therapeutics.