Journal
EXPERIMENTAL CELL RESEARCH
Volume 394, Issue 1, Pages -Publisher
ELSEVIER INC
DOI: 10.1016/j.yexcr.2020.112126
Keywords
Resveratrol; HIF-1 alpha; Pancreatic cancer; Molecular dynamics simulation
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Hypoxia-inducible factor-1 alpha (HIF-1 alpha) has been recognized as one of the essential regulators that is expressed in greater levels in pancreatic cancer (PC) and is connected with poor prognosis. Resveratrol was identified as a natural compound with many biological functions, with anti-inflammatory, antioxidant, and anticancer effects that inhibit the proliferation and progression of PC cells caused by HIF-1 alpha. The current investigation explored the binding affinity and ligand efficacy of resveratrol against HIF-1 alpha using an in silico approach, and the execution of molecular dynamics simulation (MDS) increased the prediction precision of these outcomes. This is the first study that provides an in silico characterization of the interaction between resveratrol and HIF-1 alpha and its spatial structural arrangements in pancreatic cancer therapy, providing an in-depth analysis of their drug target interactions.
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