Focused On-demand Library for Rhodopsin

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 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

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

P08100

UPID:

OPSD_HUMAN

Alternative names:

Opsin-2

Alternative UPACC:

P08100; Q16414; Q2M249

Background:

Rhodopsin, also known as Opsin-2, plays a pivotal role in the visual system. It is a photoreceptor essential for vision in low light conditions, facilitating the conversion of light into visual signals. This process involves the isomerization of 11-cis-retinal to all-trans-retinal, triggering a cascade of intracellular signaling essential for image formation. Rhodopsin's function is critical for photoreceptor cell viability post-birth, underscoring its importance in the visual pathway.

Therapeutic significance:

Rhodopsin mutations are linked to Retinitis pigmentosa 4, a degenerative eye disease leading to severe vision impairment, and congenital stationary night blindness, affecting night vision. Understanding Rhodopsin's role could unveil novel therapeutic strategies for these conditions, highlighting its significance in retinal disease treatment.