Focused On-demand Library for Mothers against decapentaplegic homolog 6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

SMAD family member 6

Alternative UPACC:

O43541; A9J6M5; O43654; Q15799; Q7Z7L4; Q96E31; Q9UKZ3


Mothers against decapentaplegic homolog 6 (SMAD6) is a critical component of the transforming growth factor-beta (TGF-beta) superfamily signaling pathway, acting as an inhibitory mediator. It plays a pivotal role in regulating cellular responses by negatively regulating downstream signaling, thus controlling cell growth, differentiation, and apoptosis. SMAD6 specifically blocks the BMP-SMAD1 signaling pathway and competes with SMAD4 for receptor-activated SMAD1-binding, highlighting its significance in cellular signaling networks.

Therapeutic significance:

SMAD6's involvement in aortic valve disease, craniosynostosis, and radioulnar synostosis underscores its potential as a therapeutic target. Its role in these diseases, particularly through genetic variants affecting its function, opens avenues for developing targeted therapies aimed at modulating SMAD6 activity. Understanding the role of SMAD6 could open doors to potential therapeutic strategies for congenital cardiovascular malformations and other related conditions.

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