Chemaxon blog

12 09 2019
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Non-blocking modulation contributes to sodium channel inhibition by a covalently attached photoreactive riluzole analog

Sodium channel inhibitor drugs decrease pathological hyperactivity in various diseases including...

12 09 2019
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Easily integrable instant cheminformatics platform

Chemicalize is an exceptional online platform with dedicated solutions including web-based chemical...

12 09 2019
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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...

12 09 2019
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Synthesis, Docking Simulation, Biological Evaluations and 3D-QSAR Study of 1,4-Dihydropyridines as Calcium Channel Blockers

Resurgence to target L-type voltage-dependent calcium channels has been applied by the synthesis of...

12 09 2019
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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...

12 09 2019
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Machine Learning Methods in Precision Medicine Targeting Epigenetics Diseases

On a tide of big data, machine learning is coming to its day. Referring to huge amounts of...

12 09 2019
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Synthesis of Jacaranone-Derived Nitrogenous Cyclohexadienones and Their Antiproliferative and Antiprotozoal Activities

The cytotoxic and antiprotozoal activities of the phytoquinoide, jacaranone, and related compounds...

12 09 2019
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nAPOLI: a graph-based strategy to detect and visualize conserved protein-ligand interactions in large-scale

Essential roles in biological systems depend on protein-ligand recognition, which is mostly driven...

12 09 2019
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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...

12 09 2019
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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...

12 09 2019
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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...

12 09 2019
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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...