AI-ACCELERATED DRUG DISCOVERY

Mitochondrial import receptor subunit TOM70

Explore its Potential with AI-Driven Innovation
Predicted by Alphafold

Mitochondrial import receptor subunit TOM70 - Focused Library Design

Available from Reaxense

This protein is integrated into the Receptor.AI ecosystem as a prospective target with high therapeutic potential. We performed a comprehensive characterization of Mitochondrial import receptor subunit TOM70 including:

1. LLM-powered literature research

Our custom-tailored LLM extracted and formalized all relevant information about the protein from a large set of structured and unstructured data sources and stored it in the form of a Knowledge Graph. This comprehensive analysis allowed us to gain insight into Mitochondrial import receptor subunit TOM70 therapeutic significance, existing small molecule ligands, relevant off-targets, and protein-protein interactions.

 Fig. 1. Preliminary target research workflow

2. AI-Driven Conformational Ensemble Generation

Starting from the initial protein structure, we employed advanced AI algorithms to predict alternative functional states of Mitochondrial import receptor subunit TOM70, including large-scale conformational changes along "soft" collective coordinates. Through molecular simulations with AI-enhanced sampling and trajectory clustering, we explored the broad conformational space of the protein and identified its representative structures. Utilizing diffusion-based AI models and active learning AutoML, we generated a statistically robust ensemble of equilibrium protein conformations that capture the receptor's full dynamic behavior, providing a robust foundation for accurate structure-based drug design.

 Fig. 2. AI-powered molecular dynamics simulations workflow

3. Binding pockets identification and characterization

We employed the AI-based pocket prediction module to discover orthosteric, allosteric, hidden, and cryptic binding pockets on the protein’s surface. Our technique integrates the LLM-driven literature search and structure-aware ensemble-based pocket detection algorithm that utilizes previously established protein dynamics. Tentative pockets are then subject to AI scoring and ranking with simultaneous detection of false positives. In the final step, the AI model assesses the druggability of each pocket enabling a comprehensive selection of the most promising pockets for further targeting.

 Fig. 3. AI-based binding pocket detection workflow

4. AI-Powered Virtual Screening

Our ecosystem is equipped to perform AI-driven virtual screening on Mitochondrial import receptor subunit TOM70. With access to a vast chemical space and cutting-edge AI docking algorithms, we can rapidly and reliably predict the most promising, novel, diverse, potent, and safe small molecule ligands of Mitochondrial import receptor subunit TOM70. This approach allows us to achieve an excellent hit rate and to identify compounds ready for advanced lead discovery and optimization.

 Fig. 4. The screening workflow of Receptor.AI

Receptor.AI, in partnership with Reaxense, developed a next-generation technology for on-demand focused library design to enable extensive target exploration.

The focused library for Mitochondrial import receptor subunit TOM70 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Mitochondrial import receptor subunit TOM70

partner:

Reaxense

upacc:

O94826

UPID:

TOM70_HUMAN

Alternative names:

Mitochondrial precursor proteins import receptor; Translocase of outer membrane 70 kDa subunit; Translocase of outer mitochondrial membrane protein 70

Alternative UPACC:

O94826; D3DN48

Background:

The Mitochondrial import receptor subunit TOM70 plays a crucial role in cellular energy production. It acts as a receptor in the TOM complex, facilitating the translocation of mitochondrial preproteins from the cytosol into the mitochondria. This process is essential for mitochondrial function and energy production. TOM70 also has a vital role in antiviral responses, particularly in mediating TBK1 and IRF3 activation in response to Sendai virus infection.

Therapeutic significance:

Understanding the role of Mitochondrial import receptor subunit TOM70 could open doors to potential therapeutic strategies. Its involvement in mitochondrial function and antiviral responses makes it a promising target for developing treatments for diseases related to mitochondrial dysfunction and viral infections.

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