Effective drug design screening in bacterial glycolytic enzymes via targeting alternative allosteric sites

Three glycolytic enzymes phosphofructokinase (PFK), glyceraldehyde-3-phosphate dehydrogenase (GADPH) and pyruvate kinase (PK) that belong to Staphylococcus aureus were used as targets for screening a dataset composed of 7229 compounds of which 1416 were FDA-approved. Instead of catalytic sites, evol...

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Veröffentlicht in:	Archives of biochemistry and biophysics 2024-12, Vol.762, p.110190, Article 110190
Hauptverfasser:	Turkmenoglu, Ipek, Kurtulus, Gamze, Sesal, Cenk, Kurkcuoglu, Ozge, Ayyildiz, Merve, Celiker, Serkan, Ozhelvaci, Fatih, Du, Xin, Liu, George Y., Arditi, Moshe, Akten, Ebru Demet
Format:	Artikel
Sprache:	eng
Schlagworte:	Allosteric mechanism Allosteric proteins Allosteric Site Anti-Bacterial Agents - chemistry Anti-Bacterial Agents - pharmacology Antimicrobial Bacterial Proteins - antagonists & inhibitors Bacterial Proteins - chemistry Bacterial Proteins - metabolism biophysics Computer Aided Drug design data collection Drug Design Drug Evaluation, Preclinical - methods drugs enzyme activity Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Enzymes glyceraldehyde-3-phosphate dehydrogenase glycolysis Glycolysis - drug effects growth retardation Humans Molecular Docking Simulation phosphofructokinases pyruvate kinase Pyruvate Kinase - antagonists & inhibitors Pyruvate Kinase - chemistry Pyruvate Kinase - metabolism sodium Staphylococcus aureus Staphylococcus aureus - drug effects Staphylococcus aureus - enzymology
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