Focused On-demand Library for Transcription factor p65

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

Reaxense

upacc

Q04206

UPID:

TF65_HUMAN

Alternative names:

Nuclear factor NF-kappa-B p65 subunit; Nuclear factor of kappa light polypeptide gene enhancer in B-cells 3

Alternative UPACC:

Q04206; Q6GTV1; Q6SLK1

Background:

The Transcription factor p65, also known as Nuclear factor NF-kappa-B p65 subunit, plays a pivotal role in regulating inflammation, immunity, and cell survival. As a key component of the NF-kappa-B complex, it is involved in diverse biological processes through its ability to act as a transcriptional activator or repressor. The NF-kappa-B complex, primarily the RELA-NFKB1 heterodimer, binds to DNA at kappa-B sites, influencing gene expression related to cell growth, apoptosis, and tumorigenesis.

Therapeutic significance:

Given its central role in inflammation and immune response, the Transcription factor p65 is implicated in Autoinflammatory disease, familial, Behcet-like 3, a condition characterized by chronic mucosal lesions. Targeting the pathways involving this protein could offer novel therapeutic approaches for managing this autoinflammatory disorder and potentially other related conditions.