AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ADAMTS-like protein 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q6UY14

UPID:

ATL4_HUMAN

Alternative names:

Thrombospondin repeat-containing protein 1

Alternative UPACC:

Q6UY14; B2RTT0; F8WAD0; Q5T5F7; Q6IPM6; Q8N643; Q9HBS6

Background:

ADAMTS-like protein 4, also known as Thrombospondin repeat-containing protein 1, plays a crucial role in the positive regulation of apoptosis and may facilitate FBN1 microfibril biogenesis. This protein's involvement in the structural integrity of connective tissues highlights its importance in cellular processes.

Therapeutic significance:

Linked to ocular abnormalities such as Ectopia lentis 2, isolated, autosomal recessive, and Ectopia lentis et pupillae, ADAMTS-like protein 4's genetic variants offer insights into its pathological roles. Understanding the role of ADAMTS-like protein 4 could open doors to potential therapeutic strategies for these eye conditions.

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