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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Reaxense

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:

The HLA class II histocompatibility antigen, DRB1 beta chain, plays a pivotal role in the immune system by presenting antigenic peptides to CD4-positive T cells. This process is crucial for initiating T-helper cell responses against pathogens and transformed cells. The DRB1 gene exhibits polymorphism, which influences its peptide-binding specificity and, consequently, the immune response.

Therapeutic significance:

Given its central role in immune response, the DRB1 beta chain is implicated in several autoimmune diseases, including Sarcoidosis 1, Multiple Sclerosis, and Rheumatoid Arthritis. Understanding the role of HLA class II histocompatibility antigen, DRB1 beta chain, could open doors to potential therapeutic strategies targeting these conditions.