Discovery and computer aided potency optimization of a novel class of small molecule CXCR4 antagonists.

Discovery and computer aided potency optimization of a novel class of small molecule CXCR4 antagonists.

Blog Article

Amongst the chemokine signalling axes involved in cancer, chemokine CXCL12 acting on chemokine receptor CXCR4 is particularly significant since lawn chairs 9 inches off the ground it orchestrates migration of cancer cells in a tissue-specific metastatic process.High CXCR4 tumour expression is associated with poor prognosis of lung, brain, CNS, blood and breast cancers.We have identified a new class of small molecule CXCR4 antagonists based on the use of computational modelling studies in concert with experimental determination of in vitro activity against CXCL12-induced intracellular calcium mobilisation, proliferation and chemotaxis.

Molecular modelling proved to be a useful tool in rationalising our observed potencies, as well as informing the direction of the synthetic efforts aimed miami dolphins wordmark at producing more potent compounds.