Focused On-demand Library for T-cell surface glycoprotein CD1a

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P06126

UPID:

CD1A_HUMAN

Alternative names:

T-cell surface antigen T6/Leu-6

Alternative UPACC:

P06126; D3DVD7; Q13962; Q5TDJ8; Q9UMM4; Q9Y5M5

Background:

T-cell surface glycoprotein CD1a, also known as T-cell surface antigen T6/Leu-6, plays a pivotal role in the immune system. It is an antigen-presenting protein that binds both self and non-self lipid and glycolipid antigens, presenting them to T-cell receptors on natural killer T-cells. This process is crucial for the activation and regulation of natural killer T-cells, which are integral to the body's defense mechanisms against pathogens and malignancies.

Therapeutic significance:

Understanding the role of T-cell surface glycoprotein CD1a could open doors to potential therapeutic strategies. Its critical function in presenting antigens to natural killer T-cells highlights its potential as a target for immunotherapy treatments, aiming to enhance the body's natural defense mechanisms against various diseases.