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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P55160
UPID:
NCKPL_HUMAN
Alternative names:
Hematopoietic protein 1; Membrane-associated protein HEM-1
Alternative UPACC:
P55160; B4DUT5; Q52LW0
Background:
Nck-associated protein 1-like, also known as Hematopoietic protein 1 and Membrane-associated protein HEM-1, plays a pivotal role in the regulation of the actin cytoskeleton. It is crucial for lymphocyte development, activation, proliferation, and homeostasis, as well as for erythrocyte membrane stability. This protein is a component of the WAVE2 complex, facilitating F-actin polymerization and influencing T-cell and neutrophil migration.
Therapeutic significance:
The protein's involvement in Immunodeficiency 72 with autoinflammation and lymphoproliferation highlights its potential as a target for therapeutic intervention. Understanding the role of Nck-associated protein 1-like could open doors to potential therapeutic strategies for treating this complex immunologic disorder.