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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop 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
Q96P47
UPID:
AGAP3_HUMAN
Alternative names:
CRAM-associated GTPase; Centaurin-gamma-3; MR1-interacting protein
Alternative UPACC:
Q96P47; B3KNZ8; E9PAL8; Q59EN0; Q96RK3
Background:
Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 3, also known as Centaurin-gamma-3, plays a crucial role in cellular processes by acting as a GTPase-activating protein for the ADP ribosylation factor family. This protein is involved in the degradation of expanded polyglutamine proteins through the ubiquitin-proteasome pathway, highlighting its importance in maintaining cellular homeostasis.
Therapeutic significance:
Understanding the role of Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 3 could open doors to potential therapeutic strategies. Its involvement in protein degradation pathways suggests a pivotal role in preventing protein aggregation disorders.