Recent progress and prospects of small molecules for NLRP3 inflammasome inhibition

N Li, R Zhang, M Tang, M Zhao, X Jiang… - Journal of Medicinal …, 2023 - ACS Publications
NLRP3 inflammasome is a multiprotein complex involved in host immune response─ which
exerts various biological effects by mediating the maturation and secretion of IL-1β and IL …

Inflammasome and pyroptosis in autoimmune liver diseases

J Wang, Z Sun, J Xie, W Ji, Y Cui, Z Ai… - Frontiers in …, 2023 - frontiersin.org
Autoimmune hepatitis (AIH), primary biliary cholangitis (PBC), primary sclerosing cholangitis
(PSC), and IgG4-related sclerosing cholangitis (IgG4-SC) are the four main forms of …

Discovery of a catalytic domain defines a new glycoside hydrolase family containing endo-1, 3-fucanase

J Shen, L Zheng, Y Zhang, G Chen, X Mei… - Carbohydrate …, 2024 - Elsevier
Sulfated fucans are important marine polysaccharides with various bioactivities. Fucanases
are desirable tools for the structural elucidations and oligosaccharides preparation of …

Development of nanobodies against Staphylococcus enterotoxin B through yeast surface display

K Ming, Y Hu, M Zhu, B Xing, M Mei, Z Wei - International Journal of …, 2023 - Elsevier
Staphylococcus enterotoxin B (SEB) is one of the primary virulence factors of
Staphylococcus aureus but there is still a lack of targeted drugs. SEB activates immune cells …

[HTML][HTML] High-Throughput Molecular Modeling and Evaluation of the Anti-Inflammatory Potential of Açaí Constituents against NLRP3 Inflammasome

ECM Rocha, JAP Rocha, RA da Costa… - International Journal of …, 2024 - mdpi.com
The search for bioactive compounds in natural products holds promise for discovering new
pharmacologically active molecules. This study explores the anti-inflammatory potential of …

Limitations of Protein Structure Prediction Algorithms in Therapeutic Protein Development

SK Niazi, Z Mariam, RZ Paracha - BioMedInformatics, 2024 - mdpi.com
Simple Summary Protein structure prediction using computer algorithms has long been a
challenge; however, the recent introduction of algorithms like AlphaFold2 and ESMFold to …

Molecular Dynamics and Other HPC Simulations for Drug Discovery

M Kotev, C Diaz Gonzalez - High Performance Computing for Drug …, 2023 - Springer
High performance computing (HPC) is taking an increasingly important place in drug
discovery. It makes possible the simulation of complex biochemical systems with high …