Focused On-demand Library for Interstitial collagenase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P03956

UPID:
MMP1_HUMAN

ALTERNATIVE NAMES:
Fibroblast collagenase; Matrix metalloproteinase-1

ALTERNATIVE UPACC:
P03956; P08156

BACKGROUND:
The protein Interstitial collagenase, known alternatively as Fibroblast collagenase or Matrix metalloproteinase-1, is pivotal in cleaving collagens of types I, II, III, VII, and X. Its role extends to the interaction and cleavage of the HIV Tat protein, which is crucial for decreasing neuronal damage caused by the virus.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Interstitial collagenase offers a promising pathway for therapeutic innovation. Its involvement in collagen degradation and protection against HIV-induced neurotoxicity positions it as a valuable target in the development of novel treatments for both tissue repair and viral infection management.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8414 of 8789