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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P63267
UPID:
ACTH_HUMAN
Alternative names:
Alpha-actin-3; Gamma-2-actin; Smooth muscle gamma-actin
Alternative UPACC:
P63267; B2R7E7; B4E315; D6W5H8; E9PG30; P12718; Q504R1; Q6FI22
Background:
Actin, gamma-enteric smooth muscle, known as Alpha-actin-3, Gamma-2-actin, or Smooth muscle gamma-actin, plays a crucial role in cell motility. This highly conserved protein is ubiquitously expressed across eukaryotic cells, underscoring its fundamental role in cellular functions.
Therapeutic significance:
The protein is implicated in Visceral myopathy 1 and Megacystis-microcolon-intestinal hypoperistalsis syndrome 5, diseases affecting smooth muscle function in the gastrointestinal tract. Understanding the role of Actin, gamma-enteric smooth muscle could open doors to potential therapeutic strategies for these conditions.