AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Elongator complex protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

Q6IA86

UPID:

ELP2_HUMAN

Alternative names:

SHINC-2; STAT3-interacting protein 1

Alternative UPACC:

Q6IA86; A8KAI6; B4DTG0; B4DXP0; E7EP23; E9PCX0; Q53GZ0; Q687Y8; Q8N5C2; Q96GV4; Q96PI7; Q9H9N0; Q9NV81

Background:

Elongator complex protein 2 (ECP2), also known as SHINC-2 and STAT3-interacting protein 1, plays a crucial role in the modification of transfer RNAs (tRNAs). It is a key component of the elongator complex, essential for the formation of carboxymethyluridine in tRNA's wobble base, influencing protein synthesis and cellular function.

Therapeutic significance:

ECP2's involvement in Intellectual developmental disorder, autosomal recessive 58, underscores its potential as a target for therapeutic intervention. Understanding the role of Elongator complex protein 2 could open doors to potential therapeutic strategies.

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