Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q07889
UPID:
SOS1_HUMAN
Alternative names:
-
Alternative UPACC:
Q07889; A8K2G3; B4DXG2
Background:
Son of sevenless homolog 1 (SOS1) is a pivotal protein that promotes the exchange of Ras-bound GDP by GTP, facilitating the activation of Ras and subsequent phosphorylation of MAP kinase MAPK3 in response to EGF. As a catalytic component of a trimeric complex, SOS1 also plays a crucial role in transducing signals from Ras to Rac, enhancing Rac-specific guanine nucleotide exchange factor activity.
Therapeutic significance:
SOS1 is implicated in the pathogenesis of Fibromatosis, gingival, 1, and Noonan syndrome 4, diseases characterized by genetic variants affecting its gene. Understanding the role of SOS1 could lead to novel therapeutic strategies targeting these conditions, potentially offering relief to patients suffering from these genetic disorders.