549475-39-0Relevant academic research and scientific papers
Discovery of novel dialkyl substituted thiophene inhibitors of HCV by in silico screening of the NS5B RdRp
Louise-May, Shirley,Yang, Wengang,Nie, Xingtie,Liu, Dongmei,Deshpande, Milind S.,Phadke, Avinash S.,Huang, Mingjun,Agarwal, Atul
, p. 3905 - 3909 (2007)
A novel 5,4-dialkyl substituted thiophene was discovered by in silico screening of the 3D polymerase crystal structure (1GX6) that demonstrated single digit micromolar HCV inhibition activity in the replicon assay and dose-dependent inhibition in the replicase complex assay. Subsequently, SAR was explored with a small set of dialkyl and tetrahydro-benzo thiophenes. Since these thiophenes inhibit synthesis of both, single- and double-stranded RNAs, their mechanism of action is distinct from other known HCV inhibitors.
