Focused On-demand Library for Mitochondrial import inner membrane translocase subunit TIM16

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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

Q9Y3D7

UPID:

TIM16_HUMAN

Alternative names:

Mitochondria-associated granulocyte macrophage CSF-signaling molecule; Presequence translocated-associated motor subunit PAM16

Alternative UPACC:

Q9Y3D7; Q6I9Z3; Q9H5X3

Background:

Mitochondrial import inner membrane translocase subunit TIM16, also known as Mitochondria-associated granulocyte macrophage CSF-signaling molecule and Presequence translocated-associated motor subunit PAM16, plays a crucial role in regulating ATP-dependent protein translocation into the mitochondrial matrix. This process is vital for mitochondrial function and energy production.

Therapeutic significance:

Linked to Spondylometaphyseal dysplasia, Megarbane-Dagher-Melike type, a disease characterized by developmental delays and skeletal abnormalities, TIM16's study could lead to novel therapeutic approaches for this genetic disorder.