AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein SEC13 homolog

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P55735

UPID:

SEC13_HUMAN

Alternative names:

GATOR complex protein SEC13; SEC13-like protein 1; SEC13-related protein

Alternative UPACC:

P55735; A8MV37; B4DXJ1; Q5BJF0; Q9BRM6; Q9BUG7

Background:

Protein SEC13 homolog, known as GATOR complex protein SEC13, plays a crucial role in cellular processes. It is a component of the nuclear pore complex (NPC) and the COPII coat, essential for the biogenesis of COPII-coated vesicles and the secretion of specific proteins from the endoplasmic reticulum. Additionally, as part of the GATOR2 subcomplex, it activates mTORC1 signaling, a key pathway in cell growth and metabolism, regulated by amino acid availability.

Therapeutic significance:

Understanding the role of Protein SEC13 homolog could open doors to potential therapeutic strategies. Its involvement in critical cellular pathways like mTORC1 signaling highlights its potential as a target in diseases where these pathways are dysregulated.

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