Focused On-demand Library for Beta-2-glycoprotein 1

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 use our state-of-the-art dedicated workflow for designing focused 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.

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

P02749

UPID:

APOH_HUMAN

Alternative names:

APC inhibitor; Activated protein C-binding protein; Anticardiolipin cofactor; Apolipoprotein H; Beta-2-glycoprotein I

Alternative UPACC:

P02749; B2R9M3; Q9UCN7

Background:

Beta-2-glycoprotein 1, known by various names such as Apolipoprotein H and Anticardiolipin cofactor, plays a crucial role in the human body. It binds to negatively charged substances like heparin and phospholipids, which are vital for the regulation of blood coagulation. This protein's ability to prevent the activation of the intrinsic blood coagulation cascade by binding to phospholipids on damaged cells surfaces underscores its importance in maintaining hemostatic balance.

Therapeutic significance:

Understanding the role of Beta-2-glycoprotein 1 could open doors to potential therapeutic strategies. Its involvement in the regulation of blood coagulation presents opportunities for developing treatments aimed at disorders related to blood clotting and cardiovascular diseases.