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23.989  Articles
1 of 2.400 pages  |  10  records  |  more records»
A computational Petra/Osiris/Molinspiration/DFT(POM/DFT) based model has been developed for the identification of physico-chemical parameters governing the bioactivity of series of oxazaphosphinanes derivatives 1a-1f containing potential antifungal O,N-ph... see more

?urcumin derivatives were virtually screened for inhibitory activity towards SERCA by computational docking. A detailed characterization of the inhibitor binding site at the molecular level and determination of the amino acids involved in interactions wit... see more

Protein aggregation into highly ordered supramolecular aggregates is the hallmark of many degenerative diseases including the neurological disorders (Parkinson’s, Alzheimer’s, and Huntington’s diseases), type II diabetes, systemic amyloidosis, spongiform ... see more

The co-localization of the donor and acceptor fluorophores capable of transferring the energy by the F?rster mechanism, on the molecular scaffold of amyloid fibrils offers new opportunities not only for refinement of the amyloid detection and structural a... see more

Monosaccharide esters (MEs) are getting more attention from bioorganic chemists due to their biodegradable and drug-likeness properties. As a consequence, carbohydrate derivatives (sugar-based esters, SEs) are an essential part of medicinal chemistry. In ... see more

The phenomenon of the endoplasmic reticulum (ER) stress as a molecular pathophysiological process underlies diseases as cancer, diabetes mellitus, myocardial infarction, neurodegenerative disorders, diseases of the urinary system, disorders associated wit... see more

Due to its crucial role in nucleotide metabolism, adenylate kinase deserves a special attention in screening of potential inhibitors. Herein, we report the assessment of the relative orientation of the ligand 2,4-thiazolidinedione to adenylate kinase crys... 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

1 of 2.400 pages  |  10  records  |  more records»