AI-ACCELERATED DRUG DISCOVERY

GTPase IMAP family member 6

Explore its Potential with AI-Driven Innovation
Predicted by Alphafold

GTPase IMAP family member 6 - 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 GTPase IMAP family member 6 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 GTPase IMAP family member 6 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 GTPase IMAP family member 6, 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 GTPase IMAP family member 6. 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 GTPase IMAP family member 6. 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 GTPase IMAP family member 6 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.

GTPase IMAP family member 6

partner:

Reaxense

upacc:

Q6P9H5

UPID:

GIMA6_HUMAN

Alternative names:

Immunity-associated nucleotide 2 protein; Immunity-associated nucleotide 6 protein

Alternative UPACC:

Q6P9H5; C9J7B6; D3DWZ4; Q5ZPR6; Q9H612

Background:

The GTPase IMAP family member 6, known by its alternative names Immunity-associated nucleotide 2 protein and Immunity-associated nucleotide 6 protein, plays a crucial role in cellular processes. This protein, encoded by the gene with the UniProt accession number Q6P9H5, is involved in the regulation of intracellular signaling pathways that are essential for maintaining cellular homeostasis and responding to environmental stimuli.

Therapeutic significance:

Understanding the role of GTPase IMAP family member 6 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.

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