AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Inner nuclear membrane protein Man1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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 employ our advanced, specialised process to create 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 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.

partner

Reaxense

upacc

Q9Y2U8

UPID:

MAN1_HUMAN

Alternative names:

LEM domain-containing protein 3

Alternative UPACC:

Q9Y2U8; Q9NT47; Q9NYA5

Background:

Inner nuclear membrane protein Man1, also known as LEM domain-containing protein 3, plays a crucial role in cellular processes by specifically repressing TGF-beta, activin, and BMP signaling through interaction with R-SMAD proteins. This repression is pivotal in regulating cell proliferation, highlighting its significance in cellular homeostasis and development.

Therapeutic significance:

Man1's involvement in Buschke-Ollendorff syndrome, a genetic condition marked by osteopoikilosis and connective-tissue nevi, underscores its therapeutic potential. Understanding the role of Inner nuclear membrane protein Man1 could open doors to potential therapeutic strategies for treating or managing this syndrome and related disorders.

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