Focused On-demand Library for Optineurin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q96CV9

UPID:

OPTN_HUMAN

Alternative names:

E3-14.7K-interacting protein; Huntingtin yeast partner L; Huntingtin-interacting protein 7; Huntingtin-interacting protein L; NEMO-related protein; Optic neuropathy-inducing protein; Transcription factor IIIA-interacting protein

Alternative UPACC:

Q96CV9; B3KP00; D3DRS4; D3DRS8; Q5T672; Q5T673; Q5T674; Q5T675; Q7LDL9; Q8N562; Q9UET9; Q9UEV4; Q9Y218

Background:

Optineurin, encoded by the gene symbolized as Q96CV9, is pivotal in cellular processes including Golgi complex maintenance, membrane trafficking, and exocytosis. It facilitates the interaction between myosin VI and Rab8, crucial for Golgi ribbon formation and innate immune response activation against viral infections. Optineurin's role extends to neuroprotection in the eye and optic nerve, potentially through regulating membrane trafficking and cellular morphogenesis alongside Rab8 and huntingtin.

Therapeutic significance:

Optineurin's involvement in diseases such as primary open angle glaucoma, normal pressure glaucoma, and amyotrophic lateral sclerosis 12 highlights its therapeutic potential. Understanding the multifaceted role of Optineurin in these conditions could pave the way for innovative therapeutic strategies, offering hope for patients suffering from these debilitating diseases.