Focused On-demand Library for ADP-ribosylation factor-like protein 6-interacting protein 1

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q15041

UPID:

AR6P1_HUMAN

Alternative names:

Apoptotic regulator in the membrane of the endoplasmic reticulum

Alternative UPACC:

Q15041; B7Z6S5; B7Z791; F5GXP4

Background:

ADP-ribosylation factor-like protein 6-interacting protein 1, alternatively known as Apoptotic regulator in the membrane of the endoplasmic reticulum, plays a pivotal role in various cellular processes. It enhances SLC1A1/EAAC1-mediated glutamate transport, contributes to endoplasmic reticulum tubule stability, and modulates apoptosis by influencing caspase-9 activity. Its involvement in protein transport, membrane trafficking, and cell signaling during hematopoietic maturation underscores its multifunctionality.

Therapeutic significance:

Linked to Spastic paraplegia 61, autosomal recessive, a neurodegenerative disorder, ADP-ribosylation factor-like protein 6-interacting protein 1's study could lead to novel therapeutic interventions. Understanding its role in glutamate transport and apoptosis regulation offers insights into potential strategies for managing this and related neurological conditions.