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 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P22894
UPID:
MMP8_HUMAN
Alternative names:
Matrix metalloproteinase-8; PMNL collagenase
Alternative UPACC:
P22894; Q45F99
Background:
Neutrophil collagenase, also known as Matrix metalloproteinase-8 (MMP-8) or PMNL collagenase, plays a pivotal role in extracellular matrix remodeling by degrading fibrillar type I, II, and III collagens. This enzymatic activity is crucial for various physiological processes including wound healing, angiogenesis, and embryonic development.
Therapeutic significance:
Understanding the role of Neutrophil collagenase could open doors to potential therapeutic strategies. Its ability to modulate the extracellular matrix suggests its involvement in tissue repair and regeneration, making it a target of interest in the development of treatments for fibrotic diseases and impaired wound healing.