Focused On-demand Library for Guanine nucleotide exchange factor MSS4

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P47224

UPID:

MSS4_HUMAN

Alternative names:

Rab-interacting factor

Alternative UPACC:

P47224; B2R4P4; Q92992

Background:

The Guanine nucleotide exchange factor MSS4, also known as Rab-interacting factor, is a pivotal protein in cellular processes, facilitating guanine-nucleotide release on members of the SEC4/YPT1/RAB subfamily. Its primary function involves stimulating GDP release from YPT1, RAB3A, and RAB10, with a notable preference for the SEC4 protein. This activity underscores its potential general role in vesicular transport, a critical pathway in cellular communication and material exchange.

Therapeutic significance:

Understanding the role of Guanine nucleotide exchange factor MSS4 could open doors to potential therapeutic strategies. Its involvement in the fundamental process of vesicular transport highlights its potential as a target for modulating cellular processes, offering a promising avenue for therapeutic intervention in diseases where vesicular transport is disrupted.