Results 11 to 20 of about 256,731 (319)
Journal of Enzyme Inhibition and Medicinal Chemistry, 2023 As part of our continuous efforts to discover novel c-Met inhibitors as antitumor agents, four series of thiazole/thiadiazole carboxamide-derived analogues were designed, synthesised, and evaluated for the in vitro activity against c-Met and four human ...
Xiang Nan +3 more
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Automated Docking Screens: A Feasibility Study [PDF]
Journal of Medicinal Chemistry, 2009 Molecular docking is the most practical approach to leverage protein structure for ligand discovery, but the technique retains important liabilities that make it challenging to deploy on a large scale. We have therefore created an expert system, DOCK Blaster, to investigate the feasibility of full automation.
Irwin, John J +6 more
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Microorganisms, 2023 Bacterial-associated wound infections are an obstacle for individuals and the medical industry. Developing versatile, antibiotic-free therapies helps heal wounds more quickly and efficiently.
Heba El-Sayed +7 more
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Molecules, 2021 Two series of novel amino acid Schiff base ligands containing heterocyclic moieties, such as quinazolinone 3–11 and indole 12–20 were successfully synthesized and confirmed by spectroscopic techniques and elemental analysis.
Ahmed A. Noser +3 more
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Design, Synthesis, Biological Evaluation and Silico Prediction of Novel Sinomenine Derivatives
Molecules, 2021 Sinomenine is a morphinan alkaloid with a variety of biological activities. Its derivatives have shown significant cytotoxic activity against different cancer cell lines in many studies.
Shoujie Li +7 more
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Data‐driven docking for the study of biomolecular complexes [PDF]
The FEBS Journal, 2004 With the amount of genetic information available, a lot of attention has focused on systems biology, in particular biomolecular interactions. Considering the huge number of such interactions, and their often weak and transient nature, conventional experimental methods such as X‐ray crystallography and NMR spectroscopy are not sufficient to gain ...
Van Dijk, Aalt D. J. +2 more
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In-silico and In-vitro Evaluation of Acetylcholinesterase Activity of Methanolic Extract of Vitex negundo [PDF]
Journal of Clinical and Diagnostic ResearchIntroduction: Vitex negundo has a myriad of medicinal uses, such as antioxidant, analgesic and anthelminthic properties, and it is used for dysmenorrhoea. The plant contains various phytochemicals, such as flavonoids, vitamins and casticin.
S Shobana Devi +3 more
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Quercetin and Ferulic Acid Elicit Estrogenic Activities In Vivo and In Silico
Molecules, 2023 In this study, we examined the sub-acute toxicity of quercetin and ferulic acid and evaluated their effects on protein, cholesterol, and estrogen levels in vivo. Six groups of female Wistar rats were fed by gavage.
Meryem Slighoua +8 more
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Synthesis and Anticandidal Activity of New Imidazole-Chalcones
Molecules, 2018 In the present work, 15 new 1-(4-(1H-imidazol-1-yl)phenyl)-3-(4-substituedphenyl)prop-2-en-1-one derivatives (3a–3o) were synthesized to evaluate their antifungal activity.
Derya Osmaniye +7 more
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In silico Docking Studies of Fingolimod and S1P1 Agonists [PDF]
Frontiers in Pharmacology, 2020 The sphingosine-1-phosphate receptor 1 (S1P1), originally the endothelial differentiation gene 1 receptor (EDG-1), is one of five G protein-coupled receptors (GPCRs) S1P1 - 5 that bind to and are activated by sphingosine-1-phosphate (S1P). The lipid S1P is an intermediate in sphingolipid homeostasis, and S1P1 is a major medical target for immune system
Alexander Marciniak +3 more
openaire +3 more sources