Focused On-demand Library for Molybdenum cofactor biosynthesis protein 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 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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 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

Q9NZB8

UPID:

MOCS1_HUMAN

Alternative names:

Cell migration-inducing gene 11 protein; Molybdenum cofactor synthesis-step 1 protein A-B

Alternative UPACC:

Q9NZB8; B3KPT7; B4DTP1; O14940; O14941; O75710; Q5J7W0; Q5TCE1; Q5TCE2; Q5TCE6; Q5TCE9; Q5TCF0; Q5TCF1; Q8N418; Q9NZB7; Q9UEM1

Background:

Molybdenum cofactor biosynthesis protein 1, known as MOCS1, plays a pivotal role in the conversion of 5'-GTP to cyclic pyranopterin monophosphate (cPMP), a crucial step in molybdenum cofactor synthesis. This process involves two isoforms, MOCS1A and MOCS1B, working in tandem to catalyze this conversion, which is essential for the activity of molybdoenzymes.

Therapeutic significance:

MOCS1 is linked to Molybdenum cofactor deficiency, complementation group A, a metabolic disorder characterized by the loss of molybdoenzyme activities, leading to severe neurological symptoms and early childhood mortality. Understanding the role of MOCS1 could open doors to potential therapeutic strategies for this devastating condition.