Focused On-demand Library for Male-specific lethal 3 homolog

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8N5Y2

UPID:

MS3L1_HUMAN

Alternative names:

Male-specific lethal-3 homolog 1; Male-specific lethal-3 protein-like 1

Alternative UPACC:

Q8N5Y2; A6NCU2; A6NHW8; A8K165; B4DUV8; B7Z227; Q9UG70; Q9Y5Z8

Background:

Male-specific lethal 3 homolog (MSL3) plays a pivotal role in chromatin remodeling and transcriptional regulation. It is a key component of the MSL complex, crucial for histone H4 acetylation at 'Lys-16', a process essential for higher-order chromatin structure formation. MSL3 specifically recognizes histone H4 monomethylated at 'Lys-20' in a DNA-dependent manner, suggesting its involvement in chromosomal targeting of the MSL complex.

Therapeutic significance:

MSL3's association with Basilicata-Akhtar syndrome, characterized by intellectual disability and developmental delays, underscores its potential as a therapeutic target. Understanding MSL3's role could open doors to novel strategies for treating this X-linked syndrome.