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Outlining migrainous through dihydroergotamine–serotonin receptor interactions using quantum biochemistry
Since the early days of migrainous research, serotonin receptors (5-HTR) have been considered a...
Synthesis of glyceryl glycosides related to A-type prymnesin toxins
A suite of glycosylated glycerol derivatives representing various fragments of the glycosylated...
Quantum chemistry reveals thermodynamic principles of redox biochemistry
Thermodynamics dictates the structure and function of metabolism. Redox reactions drive cellular...
On the Mechanism of Action of Anti-Inflammatory Activity of Hypericin: An In Silico Study Pointing to the Relevance of Janus Kinases Inhibition
St. John’s Wort (Hypericum perforatum L.) flowers are commonly used in ethnomedical preparations...
Antiparasitic activity of new gibbilimbol analogues and SAR analysis through efficiency and statistical methods
Chagas' disease and leishmaniasis are parasitic infections enrolled among the neglected tropical...
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
We analyze small molecule ligand binding to ATAD2 bromodomain by molecular dynamics and protein...
Syntheses of Novel 4-Substituted N-(5-amino-1H- 1,2,4-triazol-3-yl)pyridine-3-sulfonamide Derivatives with Potential Antifungal Activity
Candidiasis represent a serious threat for patients with altered immune responses. Therefore, we...
Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2 position of PEXEL peptidomimetics
Plasmepsin V is an aspartyl protease that plays a critical role in the export of proteins bearing...
Biological activities of extracts from Aspidosperma subincanum Mart. and in silico prediction for inhibition of acetylcholinesterase
Species of Aspidosperma are traditionally used to treat malaria, leishmaniasis, microbial, and...
Transport of N‐Nitrosamines through a Reverse Osmosis Membrane: Role of Molecular Size & Nitrogen Atoms
Reliable and adequate removal of small and uncharged trace organic chemicals, particularly...
Sensitive Analysis of Sialic Acid and Related Compound by Hydrophilic Interaction Liquid Chromatography Using Fluorescence Detection after Derivatization with DBD-PZ
N-Acetylneuraminic acid (NANA) has been reported to react with hydrogen peroxide in vitro to...
Aquatic toxicity of several textile dye formulations: Acute and chronic assays with Daphnia magna and Raphidocelis subcapitata
Dyes are widely used in various sectors and can be released into the environment where they persist...