Focused On-demand Library for Protein diaphanous homolog 3

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

Q9NSV4

UPID:

DIAP3_HUMAN

Alternative names:

Diaphanous-related formin-3; MDia2

Alternative UPACC:

Q9NSV4; A2A3B8; A2A3B9; A2A3C0; Q18P99; Q18PA0; Q18PA1; Q2KPB6; Q3ZK23; Q5JTP8; Q5T2S7; Q5XKF6; Q6MZF0; Q6NUP0; Q86VS4; Q8NAV4

Background:

Protein diaphanous homolog 3, also known as Diaphanous-related formin-3 or MDia2, plays a pivotal role in actin nucleation and elongation. It is essential for the assembly of F-actin structures, such as actin cables and stress fibers, and is crucial for processes like cytokinesis and stress fiber formation. MDia2 functions by binding to the GTP-bound form of Rho and to profilin, facilitating actin polymerization in a Rho-dependent manner. Its activity is integral to the coupling of Rho and Src tyrosine kinase signaling and the regulation of actin dynamics, including in the nucleus to drive serum-dependent SRF-MRTFA activity.

Therapeutic significance:

MDia2's involvement in auditory neuropathy, autosomal dominant 1, highlights its potential as a target for therapeutic intervention. This condition, characterized by sensorineural hearing loss and abnormal auditory brainstem response, underscores the critical role of MDia2 in auditory pathways. Understanding the role of Protein diaphanous homolog 3 could open doors to potential therapeutic strategies.