Focused On-demand Library for ATP-binding cassette sub-family B member 10, mitochondrial

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening 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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9NRK6

UPID:
ABCBA_HUMAN

ALTERNATIVE NAMES:
ABC-mitochondrial erythroid protein; ATP-binding cassette transporter 10; Mitochondrial ATP-binding cassette 2

ALTERNATIVE UPACC:
Q9NRK6; Q13040; Q6P1Q8; Q9H3V0

BACKGROUND:
The ATP-binding cassette transporter 10 (ABCB10), also known as Mitochondrial ATP-binding cassette 2, is integral to mitochondrial health and function. It efficiently exports unknown physiological substrates and the heme analog Zn (II) mesoporphyrin from the mitochondrial matrix, excluding 5-aminolevulinic acid. ABCB10's activity is essential for the early steps of heme biosynthesis, impacting hemoglobin production and cellular defense against oxidative damage. Additionally, its potential role in the UPRmt signaling pathway underscores its importance in mitochondrial protein homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of ATP-binding cassette transporter 10 opens up possibilities for innovative therapeutic interventions. Given its critical involvement in heme biosynthesis and defense mechanisms against oxidative stress, ABCB10 represents a promising target for developing treatments aimed at hematological disorders and mitochondrial diseases.

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