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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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
Receptor.AI
 
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, identified as a key player in the choline-acetylcholine pathway, is vital for outer hair cell function and acoustic injury protection. It also serves as a thiamine pyrophosphate transporter, ensuring thiamine (vitamin B1) homeostasis. This protein's dual role underscores its importance in neural and metabolic health.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in autosomal dominant Deafness, 72, and potential involvement in thiamine homeostasis, Choline transporter-like protein 4 presents a promising target for developing treatments for hearing impairments and metabolic diseases. Exploring its functions further could lead to groundbreaking therapeutic strategies.

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