AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Beta-2 adrenergic receptor

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

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

P07550

UPID:

ADRB2_HUMAN

Alternative names:

Beta-2 adrenoreceptor

Alternative UPACC:

P07550; B0LPE4; B2R7X2; O14823; O14824; O14825; O14826; Q4JG18; Q53GA6; Q6GMT4; Q6P4D8; Q8NEQ9; Q96EC3; Q9UCZ0; Q9UCZ1; Q9UCZ2; Q9UCZ3; Q9UH95; Q9UHA1; Q9UMZ5

Background:

The Beta-2 adrenergic receptor, also known as Beta-2 adrenoreceptor, plays a pivotal role in mediating the effects of catecholamines like epinephrine, which it binds with significantly higher affinity compared to norepinephrine. This interaction activates adenylate cyclase through G proteins, a crucial pathway in the cardiovascular and respiratory systems.

Therapeutic significance:

Understanding the role of Beta-2 adrenergic receptor could open doors to potential therapeutic strategies. Its central role in the sympathetic nervous system's response suggests its potential as a target for treating cardiovascular and respiratory conditions.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.