Focused On-demand Library for HLA class II histocompatibility antigen, DRB1 beta chain

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P01911

UPID:
DRB1_HUMAN

ALTERNATIVE NAMES:
Human leukocyte antigen DRB1

ALTERNATIVE UPACC:
P01911; A0MWF2; A0N0W1; A2ICT1; A2TGX3; A4F5N0; A4ZXA5; A4ZXA6; A4ZY86; A5H000; A5HKN8; A7DZP9; A7LA26; A7UHG2; A7X5B1; A7X5B7; A7X5E0; A7X5E6; A7X5H8; A7X5J4; A7X5K7; A8K098; A8YQE9; A9JPG0; B0BK85; B0LUZ6; B0UYW1; B1GWE7; B2CR03; B2LVF9; B2NJ29; B2ZCY1; B3VTP8; B3VTQ3; B5A8Y2; B5A8Y3; B5B8U0; B5B9V5; B5B9V6; B5LZ25; B5QSK8; B6VCX2; B6VEL9; B7UDB2; B9VRA4; B9X248; C0LAB5; O02876; O02930; O19585; O19717; O19718; O19739; O19788; O46699; O46793; O46872; O62869; O62889; O77969; O78047; O78210; O98212; P01912; P01914; P04229; P13758; P13759; P13760; P13761; P20039; P79545; Q06662; Q0PGR5; Q0PQ39; Q14280; Q14QT2; Q155F7; Q19AF2; Q19K86; Q1AP33; Q1G0Z9; Q1JRP3; Q1KLJ6; Q27PR6; Q27PR7; Q29673; Q29720; Q29722; Q29734; Q29770; Q29771; Q29772; Q29790; Q29792; Q29800; Q29806; Q29833; Q29874; Q29875; Q29886; Q29968; Q29974; Q29975; Q2A120; Q2HZE5; Q2L9H4; Q2LE76; Q2MF40; Q2MJA6; Q2MZ92; Q2VQU1; Q2YHQ2; Q30006; Q30108; Q30112; Q30115; Q30116; Q30117; Q30120; Q30134; Q30142; Q30145; Q30149; Q30159; Q30166; Q30167; Q30200; Q307W5; Q31636; Q32MY7; Q3HUP9; Q3KTM1; Q3LA84; Q3LA87; Q3LA88; Q3LA89; Q3LA90; Q3LA91; Q3LA92; Q3LA93; Q3LA94; Q3LA95; Q3LA96; Q3LA97; Q3LA98; Q3LA99; Q3LAA0; Q3LAA1; Q3LAA2; Q3MQ60; Q3T919; Q4PRC3; Q4PRC5; Q4VZY7; Q53IG1; Q56FN9; Q56FP1; Q56FP2; Q56FP3; Q58F52; Q5BM92; Q5EER6; Q5K3W2; Q5NDB9; Q5U9W6; Q5UBA2; Q5UT58; Q5W3L4; Q5Y7A7; Q5Y7B0; Q5Y7B9; Q5Y7E9; Q5Y7G0; Q683P7; Q6REE2; Q6T865; Q6U387; Q701T1; Q70GL2; Q70Q85; Q768U2; Q768U4; Q7M2H4; Q7YNY9; Q7YP03; Q7YP04; Q7YQ26; Q7YQA3; Q7YQA5; Q860D8; Q860D9; Q860E5; Q860H8; Q860S0; Q860Z3; Q861G6; Q861H0; Q861H4; Q861H5; Q861H7; Q861H8; Q8HWQ6; Q8MH59; Q8MH60; Q8WLU3; Q8WMA0; Q95348; Q95383; Q95389; Q95461; Q95HK1; Q95HL0; Q95HL1; Q95IE3; Q95IG2; Q95IT6; Q96HZ9; Q9BCL7; Q9BCP0; Q9BCP1; Q9BCP2; Q9BCP5; Q9BD21; Q9BD33; Q9BD40; Q9GIK5; Q9GIL5; Q9GIL6; Q9GIP3; Q9GIX8; Q9GIX9; Q9GIY0; Q9GIY1; Q9GIY2; Q9GIY3; Q9GIY4; Q9GJ25; Q9GJ56; Q9GJ57; Q9GJ58; Q9GJ60; Q9GJF8; Q9GJF9; Q9GJG0; Q9MXZ0; Q9MXZ5; Q9MY13; Q9MY45; Q9MY56; Q9MYF5; Q9TPB6; Q9TPW1; Q9TPW3; Q9TPW9; Q9TPX4; Q9TQ37; Q9TQ91; Q9TQE0; Q9UBY1; Q9UIM9; Q9UIN0; Q9XRX1; Q9XRY4; Q9XRY5; Q9Y453; Q9Y4H7

BACKGROUND:
HLA class II histocompatibility antigen, DRB1 beta chain, is essential for the adaptive immune system, presenting extracellular peptides to CD4-positive T cells. Its allele-specific peptide presentation influences susceptibility to various autoimmune diseases by modulating immune responses.

THERAPEUTIC SIGNIFICANCE:
The DRB1 beta chain's involvement in diseases like Sarcoidosis 1, Multiple Sclerosis, and Rheumatoid Arthritis highlights its potential as a target for therapeutic intervention. Exploring the DRB1 beta chain's functions and disease associations offers promising avenues for developing novel treatments for these autoimmune disorders.

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