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37.056  Articles
1 of 3.707 pages  |  10  records  |  more records»
Currently, nanobody binding cortisol has been deposited in the database. Unfortunately, the affinity is still in micromolar order. Substituting hydrophobic residues in the binding pocket and utilizing CDR2 and CDR3 is the strategy to improve the affinity.... see more

Erlotinib, Afatinib, and WZ4002 are quinazoline derivative compounds and classified as first, second, and third-generation EGFR inhibitor. All inhibitors have been given directly to cancer patients for many years but find some resistance. These three comp... see more

The binding of the benzanthrone dye ABM to the model amyloid fibrils of human insulin, referred to here as vealyl (12-VEALYL-17, insulin B-chain)), lyqlen (13-LYQLEN-18, insulin A-chain) and Insf ( 11-LVEALYL-17, B-chain) + 12-SLYQLENY-19, A-chain) was st... see more

The benzanthrone fluorescent dyes are known as environmentally-sensitive reporters for exploring the physicochemical properties and structural alterations of lipid membranes. In the present work the 100-ns molecular dynamics simulation (MD) was used to ch... see more

Phosphatidylinositol 3-kinase d (PI3Kd) is a validated drug target for the treatment of cancer. The present study aims to search for new inhibitors of PI3Kd by employing pharmacophore modelling using LigandScout Advanced 4.3 software. The three hydrogen b... see more

The purpose of this study was to analyze the inhibitory action of ursolic acid (UA) as an antitubercular agent by computational docking studies and molecular dynamics simulations. The effect of UA on the cell wall of Mycobacterium tuberculosis (MTB) was e... see more

Specific interactions between scaffold protein SH3 and multiple ankyrin repeat domains protein 3 (Shank3) and synapse-associated protein 90/postsynaptic density-95–associated protein (SAPAP) are essential for excitatory synapse development and plast... see more

Methylenetetrahydrofolate reductase (MTHFR) is an essential enzyme for the homeostasis and metabolism of intracellular folate. However, it is known that one of the commonly found MTHFR gene SNPs (A222V) causes a decrease in activity which decreases folate... see more

In the present work the 100-ns molecular dynamics simulations (MD) were performed in the CHARMM36m force field using the GROMACS package to estimate the bilayer location and mechanisms of the interaction between the novel phosphonium dye TDV and the model... see more

1 of 3.707 pages  |  10  records  |  more records»