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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P48740
UPID:
MASP1_HUMAN
Alternative names:
Complement factor MASP-3; Complement-activating component of Ra-reactive factor; Mannose-binding lectin-associated serine protease 1; Mannose-binding protein-associated serine protease; Ra-reactive factor serine protease p100; Serine protease 5
Alternative UPACC:
P48740; A8K542; A8K6M1; B4E2L7; O95570; Q68D21; Q8IUV8; Q96RS4; Q9UF09
Background:
Mannan-binding lectin serine protease 1 (MASP-1) plays a pivotal role in the lectin pathway of complement, essential for innate immunity. It recognizes pathogens through sugar patterns, leading to the activation of MASP2 or C2, or directly activating C3, a crucial component of the complement system. MASP-1's alternative names include Complement factor MASP-3 and Mannose-binding protein-associated serine protease, highlighting its diverse functions in immune response and development.
Therapeutic significance:
MASP-1's involvement in 3MC syndrome 1, characterized by facial dysmorphism, craniosynostosis, and learning disability, underscores its potential as a therapeutic target. Understanding the role of MASP-1 could open doors to potential therapeutic strategies for treating or managing 3MC syndrome 1 and other complement-mediated disorders.