Focused On-demand Library for HLA class I histocompatibility antigen, A alpha chain

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P04439

UPID:

HLAA_HUMAN

Alternative names:

Human leukocyte antigen A

Alternative UPACC:

P04439; B1PKZ3; O02939; O02954; O02955; O02963; O19509; O19546; O19598; O19605; O19606; O19619; O19647; O19673; O19687; O19695; O19756; O19794; O19795; O43906; O43907; O46874; O62921; O62924; O77937; O77938; O77964; O78073; O78171; O98009; O98010; O98011; O98137; P01891; P01892; P05534; P06338; P10313; P10314; P10315; P10316; P13746; P16188; P16189; P16190; P18462; P30443; P30444; P30445; P30446; P30447; P30448; P30449; P30450; P30451; P30452; P30453; P30454; P30455; P30456; P30457; P30458; P30459; P30512; P30514; P79505; P79562; P79563; Q09160; Q29680; Q29747; Q29835; Q29837; Q29838; Q29899; Q29908; Q29909; Q29910; Q30208; Q31623; Q5S3G1; Q65A82; Q8MHM1; Q8MHN9; Q95352; Q95355; Q95362; Q95377; Q95380; Q95IZ5; Q9BCN0; Q9BD15; Q9BD19; Q9GJE6; Q9GJE7; Q9GJE8; Q9MW42; Q9MY89; Q9MYA3; Q9MYA5; Q9MYC4; Q9MYE6; Q9MYE9; Q9MYG4; Q9MYG5; Q9MYI5; Q9TP25; Q9TPQ3; Q9TPR8; Q9TPX8; Q9TPX9; Q9TPY0; Q9TQ24; Q9TQE8; Q9TQE9; Q9TQF1; Q9TQF5; Q9TQF8; Q9TQF9; Q9TQG0; Q9TQG5; Q9TQG7; Q9TQH5; Q9TQI3; Q9TQK5; Q9TQM6; Q9TQN5; Q9TQP5; Q9TQP6; Q9TQP7; Q9UIN1; Q9UIN2; Q9UIP7; Q9UQU3; Q9UQU6; Q9UQU7

Background:

The Human leukocyte antigen A, specifically the HLA class I histocompatibility antigen, A alpha chain, plays a pivotal role in the immune system. It presents viral and tumor-derived peptides on antigen-presenting cells, facilitating the recognition by CD8-positive T cells. This process is crucial for the elimination of infected or transformed cells. The protein presents peptides of 8 to 13 amino acids, derived from intracellular proteolysis, showcasing a diverse range of antigens to the immune system.

Therapeutic significance:

Understanding the role of Human leukocyte antigen A could open doors to potential therapeutic strategies. Its ability to present a wide array of peptide antigens, including those from viruses and tumors, makes it a key target for developing treatments aimed at enhancing immune recognition and response. This could lead to innovative therapies for infectious diseases and cancer.