Focused On-demand Library for V-type proton ATPase subunit E 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Reaxense

upacc

P36543

UPID:

VATE1_HUMAN

Alternative names:

V-ATPase 31 kDa subunit; Vacuolar proton pump subunit E 1

Alternative UPACC:

P36543; A8MUE4; A8MUN4

Background:

The V-type proton ATPase subunit E 1, also known as V-ATPase 31 kDa subunit or Vacuolar proton pump subunit E 1, plays a crucial role in cellular processes. It is a component of the V1 complex of vacuolar(H+)-ATPase, a multisubunit enzyme that hydrolyzes ATP and translocates protons, essential for acidifying intracellular compartments and, in some cells, the extracellular environment.

Therapeutic significance:

Linked to Cutis laxa, autosomal recessive, 2C, a disorder characterized by skin wrinkling and connective tissue weakness, understanding the role of V-type proton ATPase subunit E 1 could open doors to potential therapeutic strategies.