Focused On-demand Library for KN motif and ankyrin repeat domain-containing 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.

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.

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

Q63ZY3

UPID:

KANK2_HUMAN

Alternative names:

Ankyrin repeat domain-containing protein 25; Matrix-remodeling-associated protein 3; SRC-1-interacting protein

Alternative UPACC:

Q63ZY3; B0I1P4; Q3KQZ3; Q6GUF5; Q9H8S4; Q9NUP0; Q9P210

Background:

KN motif and ankyrin repeat domain-containing protein 2, also known as Ankyrin repeat domain-containing protein 25, Matrix-remodeling-associated protein 3, and SRC-1-interacting protein, plays a pivotal role in various cellular processes. It is involved in transcription regulation, apoptosis, vitamin D receptor signaling, actin stress fibers formation, and cell adhesion and migration. Its interaction with ARHGDIA and influence on the Rho signaling pathway are crucial for podocyte migration and cell proliferation.

Therapeutic significance:

This protein's involvement in Palmoplantar keratoderma and woolly hair, and Nephrotic syndrome 16, underscores its potential as a target for therapeutic intervention. Understanding the role of KN motif and ankyrin repeat domain-containing protein 2 could open doors to potential therapeutic strategies.