Focused On-demand Library for Choline transporter-like protein 4

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.

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 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 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

Q53GD3

UPID:

CTL4_HUMAN

Alternative names:

Solute carrier family 44 member 4; Thiamine pyrophosphate transporter 1

Alternative UPACC:

Q53GD3; A2BED3; B0UXX8; B0UZY8; B4DU94; B4DWM2; E9PEK7; Q5JP84; Q5JQ93; Q658S8; Q6UX89; Q8TEW4; Q96C58; Q96K59; Q9Y332

Background:

Choline transporter-like protein 4, also known as Solute carrier family 44 member 4 and Thiamine pyrophosphate transporter 1, plays a crucial role in the choline-acetylcholine system. It is essential for the efferent innervation of hair cells in the olivocochlear bundle, maintaining the physiological function of outer hair cells and protecting them from acoustic injury. Additionally, it functions as a thiamine pyrophosphate transporter in the colon, contributing to host thiamine homeostasis.

Therapeutic significance:

The protein's involvement in Deafness, autosomal dominant, 72, a form of non-syndromic sensorineural hearing loss affecting middle frequencies, highlights its potential as a target for therapeutic intervention. Understanding the role of Choline transporter-like protein 4 could open doors to novel treatments for hearing loss and thiamine deficiency disorders.