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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P11226
UPID:
MBL2_HUMAN
Alternative names:
Collectin-1; MBP1; Mannan-binding protein; Mannose-binding lectin
Alternative UPACC:
P11226; Q4VB12; Q4VB13; Q4VB14; Q5SQS3; Q86SI4; Q96KE4; Q96TF7; Q96TF8; Q96TF9
Background:
Mannose-binding protein C, also known as Collectin-1, MBP1, and Mannan-binding protein, plays a pivotal role in innate immune defense by binding to specific sugars on microorganisms, thereby activating the lectin complement pathway. This protein, encoded by the gene with the UniProt accession number P11226, also facilitates the clearance of apoptotic and necrotic cells by macrophages and may interact with DNA.
Therapeutic significance:
Understanding the role of Mannose-binding protein C could open doors to potential therapeutic strategies, especially considering its ability to inhibit SARS-CoV-2 infection and reduce the associated inflammatory response. This highlights its potential in antiviral therapies and controlling inflammation.