|
|
|
|
|
Drug development is notoriously complex and costly. Despite over a century of modern medicine, only around 5% rare diseases have effective treatments, largely due the high R&D burden. However, the rapid development Artificial Intelligence (AI) is transforming this landscape.
|
|
AI is able to integrate the 3D conformation and atomic structure of potential drug molecules, modeling how they interact with the target proteins. It can refine these designs to improve efficacy, identify novel targets, and even account for the complex biological environment where drug-target interactions occur. A standout example is AlphaFold 3, by DeepMind and Isomorphic Labs, which predicts the structure and interaction of most biomolecules-including proteins, DNA, RNA and ligands-with unprecedented accuracy[1].
|
|
|
|
Figure 1. AlphaFold 3 Prediction Example: Identified bacterial CRP/FNR family transcriptional regulator protein bound to DNA and cGMP[1].
|
|
MedChemExpress (MCE) provides one-stop drug screening service and target protein products with high purity, high activity and low endotoxicity to accelerate your research.
|
|
Our AI-powered platform uses GeminiMol modeling to analyze compound structures and activity data, enabling the discovery of candidate molecules across a broader and more diverse chemical space.
|
|
|
|
Figure 2. GeminiMol application architecture diagram (concept image from MCE).
|
|
|
MedChemExpress Compound Library for AI-Driven Virtual Screening
|
|
|
Product Name
|
Features
|
|
HY-L0129V
MCE Screening Compound Library1
|
A collection of over 2 million screening compounds from 6+ manufacturers available at competitive prices, suitable for virtual screening and AI-driven screening applications.
|
|
HY-L0130V
MCE Screening Compound Library2
|
A collection of over 9 million screening compounds from 18+ manufacturers. The data has been cleaned, suitable for virtual screening and AI screening.
|
|
|
|
|
MedChemExpress Recombinant Proteins
|
|
|
Product Name
|
Description
|
|
Noggin
|
Noggin is a potent bone morphogenetic protein (BMP) antagonist capable of inhibiting vasculogenesis even in the presence of provasculogenic VEGF and FGF-2.
|
|
LAG-3
|
LAG-3 binds to FGL1 and transmits inhibitory signals that negatively affect CD8 (+) and CD4 (+) T cell proliferation, activation, and effector functions.
|
|
HER2
|
The HER2/CD340 protein is a dynamic tyrosine kinase that is essential in the neuregulin receptor complex and regulates microtubule dynamics.
|
|
Siglec-2/CD22
|
The Siglec-2/CD22 protein mediates B cell interactions and may direct B cell localization within lymphoid tissues.
|
|
CTLA-4
|
The CTLA-4 protein is a key inhibitory receptor and a major negative regulator of T cell responses in coordination of immune regulation.
|
|
|
|
Reference: 
|
|
[1] Abramson J, et al. Nature. 2024 Jun; 630(8016): 493-500.
|
|
|
|
|
|
|
|
|
Products are for research use only and are not intended for human use. We do not sell to patients.
|
|
|
