Focused On-demand Library for HLA class I histocompatibility antigen, B 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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

P01889

UPID:

HLAB_HUMAN

Alternative names:

Human leukocyte antigen B

Alternative UPACC:

P01889; A0A2I6Q7B5; B0V0B8; G3GN01; O02862; O02956; O02957; O02960; O19555; O19556; O19595; O19615; O19624; O19625; O19627; O19641; O19651; O19675; O19692; O19758; O19779; O19783; O46702; O62897; O62901; O62915; O62917; O62919; O77933; O77959; O78053; O78138; O78160; O78163; O78172; O78173; O78180; O78217; O95730; O98140; P01890; P03989; P10317; P10318; P10319; P10320; P18463; P18464; P18465; P19373; P30460; P30461; P30462; P30463; P30464; P30465; P30466; P30467; P30468; P30469; P30470; P30471; P30472; P30473; P30474; P30475; P30476; P30477; P30478; P30479; P30480; P30481; P30482; P30483; P30484; P30485; P30486; P30487; P30488; P30489; P30490; P30491; P30492; P30493; P30494; P30495; P30496; P30497; P30498; P30513; P30685; P79489; P79490; P79496; P79504; P79523; P79524; P79542; P79555; Q04826; Q08136; Q29633; Q29636; Q29638; Q29661; Q29665; Q29678; Q29679; Q29681; Q29693; Q29695; Q29697; Q29718; Q29742; Q29749; Q29762; Q29764; Q29829; Q29836; Q29842; Q29845; Q29846; Q29847; Q29848; Q29850; Q29851; Q29852; Q29854; Q29855; Q29857; Q29858; Q29861; Q29924; Q29925; Q29933; Q29935; Q29936; Q29940; Q29953; Q29961; Q29982; Q30173; Q30198; Q31603; Q31610; Q31612; Q31613; Q546L8; Q546M4; Q5JP37; Q5QT24; Q5RIP1; Q5SRJ2; Q5TK76; Q5TK77; Q860I4; Q861B5; Q8HWF0; Q8MGQ3; Q8MHN4; Q8SNC5; Q95343; Q95344; Q95365; Q95369; Q95392; Q95HA3; Q95HA8; Q95HM9; Q95IA6; Q95IB8; Q95IH5; Q95J00; Q96IT9; Q9BCM6; Q9BCM7; Q9BCM8; Q9BD06; Q9BD38; Q9BD43; Q9GIL3; Q9GIM3; Q9GIX1; Q9GIY5; Q9GIZ0; Q9GIZ9; Q9GJ00; Q9GJ17; Q9GJ20; Q9GJ23; Q9GJ31; Q9GJF0; Q9GJM7; Q9MX21; Q9MY37; Q9MY42; Q9MY43; Q9MY61; Q9MY75; Q9MY78; Q9MY79; Q9MY84; Q9MY92; Q9MY93; Q9MY94; Q9MYB8; Q9MYC3; Q9MYC7; Q9MYF4; Q9MYG1; Q9TP35; Q9TP36; Q9TP37; Q9TP95; Q9TPQ7; Q9TPQ9; Q9TPR2; Q9TPR4; Q9TPS6; Q9TPT2; Q9TPT4; Q9TPT6; Q9TPV2; Q9TQG1; Q9TQH3; Q9TQH6; Q9TQH7; Q9TQH8; Q9TQH9; Q9TQM2; Q9TQN4; Q9TQN6; Q9UQS8; Q9UQT0

Background:

The Human Leukocyte Antigen B (HLA-B) is a crucial component of the immune system, playing a pivotal role in antigen presentation. It presents viral and tumor-derived peptides to CD8-positive T cells, guiding the immune response to eliminate infected or transformed cells. HLA-B's ability to present a wide array of peptides, including those from HIV, EBV, and SARS-CoV-2, underscores its importance in immune surveillance.

Therapeutic significance:

HLA-B's involvement in diseases like Stevens-Johnson syndrome and Spondyloarthropathy 1 highlights its therapeutic potential. Understanding the role of HLA-B could open doors to potential therapeutic strategies, particularly in developing treatments for autoimmune diseases and enhancing vaccine efficacy.