Focused On-demand Library for Capping protein, Arp2/3 and myosin-I linker protein 2

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening 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.

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

Q6F5E8

UPID:

CARL2_HUMAN

Alternative names:

Capping protein regulator and myosin 1 linker 2; F-actin-uncapping protein RLTPR; Leucine-rich repeat-containing protein 16C; RGD, leucine-rich repeat, tropomodulin and proline-rich-containing protein

Alternative UPACC:

Q6F5E8; B8X2Z3

Background:

Capping protein, Arp2/3 and myosin-I linker protein 2, known by its alternative names such as F-actin-uncapping protein RLTPR, plays a pivotal role in actin polymerization, cell migration, and T-cell activation. Its involvement in cell protrusion, polarity, and membrane dynamics underscores its significance in cellular functions and immune response.

Therapeutic significance:

Linked to Immunodeficiency 58, a condition characterized by various infectious diseases and impaired immune cell function, this protein's genetic variants highlight its critical role in immune system regulation. Understanding the role of Capping protein, Arp2/3 and myosin-I linker protein 2 could open doors to potential therapeutic strategies for addressing immune deficiencies.