AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dedicator of cytokinesis protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q92608

UPID:

DOCK2_HUMAN

Alternative names:

-

Alternative UPACC:

Q92608; Q2M3I0; Q96AK7

Background:

Dedicator of cytokinesis protein 2 (DOCK2) is pivotal in cytoskeletal rearrangements essential for lymphocyte migration in response to chemokines. It specifically activates RAC1 and RAC2, facilitating guanine nucleotide exchange from GDP to GTP, excluding CDC42 activation. DOCK2's role extends to participating in IL2 transcriptional activation through RAC2 activation.

Therapeutic significance:

DOCK2's involvement in Immunodeficiency 40, characterized by severe combined immunodeficiency, highlights its critical role in immune response. Understanding DOCK2's function could pave the way for innovative treatments for immune disorders, potentially saving lives through targeted gene therapy or novel pharmacological interventions.

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