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 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.
Our high-tech, dedicated method is applied to construct targeted 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
P50454
UPID:
SERPH_HUMAN
Alternative names:
47 kDa heat shock protein; Arsenic-transactivated protein 3; Cell proliferation-inducing gene 14 protein; Collagen-binding protein; Rheumatoid arthritis-related antigen RA-A47
Alternative UPACC:
P50454; B3KVJ3; P29043; Q5XPB4; Q6NSJ6; Q8IY96; Q9NP88
Background:
Serpin H1, also known as the 47 kDa heat shock protein, plays a crucial role in the human body by specifically binding to collagen. This protein, with alternative names such as Arsenic-transactivated protein 3 and Collagen-binding protein, functions as a chaperone in the biosynthetic pathway of collagen, indicating its pivotal role in maintaining the structural integrity of various tissues.
Therapeutic significance:
Given its involvement in Osteogenesis imperfecta 10, a disorder characterized by bone fragility and susceptibility to fractures, understanding the role of Serpin H1 could open doors to potential therapeutic strategies. This protein's function in collagen binding and processing underscores its potential as a target for developing treatments aimed at enhancing bone strength and resilience.