Identification of Helicobacter pylori‐carcinogenic TNF‐alpha‐inducing protein inhibitors via daidzein derivatives through computational approaches

Gastric cancer is considered a class 1 carcinogen that is closely linked to infection with Helicobacter pylori (H. pylori), which affects over 1 million people each year. However, the major challenge to fight against H. pylori and its associated gastric cancer due to drug resistance. This research g...

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Veröffentlicht in:	Journal of cellular and molecular medicine 2024-05, Vol.28 (9), p.e18358-n/a
Hauptverfasser:	Tayyeb, Jehad Zuhair, Mondal, Shibam, Anisur Rahman, Md, Kumar, Swapon, Bayıl, Imren, Akash, Shopnil, Hossain, Md. Sarowar, Alqahtani, Taha, Zaki, Magdi E. A., Oliveira, Jonas Ivan Nobre
Format:	Artikel
Sprache:	eng
Schlagworte:	ADMET Algorithms Amino acids Atoms & subatomic particles Bacterial Proteins - antagonists & inhibitors Bacterial Proteins - chemistry Bacterial Proteins - metabolism Boundary conditions Carcinogens computer‐aided drug design Cost reduction Daidzein DFT Drug development Drug resistance Energy Gastric cancer Helicobacter Infections - drug therapy Helicobacter Infections - microbiology Helicobacter pylori Helicobacter pylori - drug effects Helicobacter pylori - metabolism Humans Hydrogen Hydrogen Bonding Investigations Isoflavones - chemistry Isoflavones - metabolism Isoflavones - pharmacology Ligands molecular docking Molecular Docking Simulation molecular dynamic simulation Molecular Dynamics Simulation Original Pharmacokinetics Principal Component Analysis Principal components analysis Protein Binding Protein structure Proteins Simulation Stomach Neoplasms - drug therapy Stomach Neoplasms - microbiology Synthetic products Toxicity Tumor necrosis factor-TNF
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