Jameelah K. T. Al-Isawi

De Novo Design and Molecular Dynamics Evaluation of AZ67-Derived Allosteric PFKFB3 Modulators for Anticancer Metabolic Drug Discovery

PFKFB3 is a druggable regulator of fructose-2,6-bisphosphate production, glycolytic flux, angiogenic metabolism, and tumour-cell survival signalling. This study redesigned the AZ67 allosteric scaffold to prioritise computational leads for anticancer metabolic drug discovery. ChemoDOTS enumeration produced 575,760 virtu...