Focused On-demand Library for Brefeldin A-inhibited guanine nucleotide-exchange protein 2

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.

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 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.

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

Q9Y6D5

UPID:

BIG2_HUMAN

Alternative names:

ADP-ribosylation factor guanine nucleotide-exchange factor 2

Alternative UPACC:

Q9Y6D5; Q5TFT9; Q9NTS1

Background:

Brefeldin A-inhibited guanine nucleotide-exchange protein 2, also known as ADP-ribosylation factor guanine nucleotide-exchange factor 2, plays a pivotal role in cellular processes. It promotes guanine-nucleotide exchange on ARF1 and ARF3, crucial for Golgi vesicular transport, endosomal integrity, and membrane trafficking. This protein is involved in the regulation of several key pathways, including the recycling of the transferrin receptor and the exit of GABA(A) receptors from the endoplasmic reticulum.

Therapeutic significance:

Given its involvement in Periventricular nodular heterotopia 2, a disorder characterized by abnormal neuronal migration and severe developmental delays, understanding the role of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 could open doors to potential therapeutic strategies.