Focused On-demand Library for H(+)/Cl(-) exchange transporter 7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

P51798

UPID:

CLCN7_HUMAN

Alternative names:

Chloride channel 7 alpha subunit; Chloride channel protein 7

Alternative UPACC:

P51798; A6NEJ7; A8K5T9; A8K7X1; B3KPN3; E9PDB9; Q9NYX5

Background:

The H(+)/Cl(-) exchange transporter 7, also known as Chloride channel 7 alpha subunit or Chloride channel protein 7, plays a crucial role in cellular processes by mediating the exchange of chloride ions against protons. This activity is essential for the acidification of the lysosome lumen, contributing to maintaining lysosomal pH. Its function as an antiporter highlights its significance in cellular ion homeostasis.

Therapeutic significance:

Linked to diseases such as Osteopetrosis, autosomal recessive 4, and autosomal dominant 2, and a syndrome involving hypopigmentation, organomegaly, and delayed myelination and development, understanding the role of H(+)/Cl(-) exchange transporter 7 could open doors to potential therapeutic strategies. Its involvement in these conditions underscores the importance of targeted research for the development of novel treatments.