Molecular design, synthesis and cell based HCV replicon assay of novel benzoxazole derivatives
Ismail, M A H; Сиддик Адель Мухаммед; Ismail, N S M; Abouzid, Khaled;
Abstract
Hepatitis C virus inhibitors based on benzoxazole scaffold were designed based on molecular modeling simulation study including docking into the NS5B polymerase active site. Several compounds showed significant high simulation docking scores relative to the assigned benzimidazole lead compound. The designed compounds were synthesized, structurally elucidated and their antiviral activity was evaluated through cell-based replicon in cultured Huh 5-2 cells. A number of the synthesized compounds showed significant inhibitory activity ranging from (52.2% inhibition up to 98% at<50 µg/mL). N-Benzyl-2-phenylbenzo[1,3]oxazole-5-carboxamide (8b) and N-Phenethyl-2-phenylbenzo[1,3] oxazole-5-carboxamide (8c) demonstrated genuine HCV inhibitory activity with EC50 values of 41.6 and 24.5 µg/mL respectively.
Other data
Title | Molecular design, synthesis and cell based HCV replicon assay of novel benzoxazole derivatives | Authors | Ismail, M A H; Сиддик Адель Мухаммед ; Ismail, N S M; Abouzid, Khaled | Keywords | benzoxazole derivatives;hepatitis C virus inhibitors;molecular modeling;replicon assay | Issue Date | Mar-2013 | Journal | Drug research | Volume | 63 | Issue | 3 | Start page | 109 | End page | 120 | ISSN | 2194-9379 | DOI | 10.1055/s-0032-1331765 | PubMed ID | 23444170 | Scopus ID | 2-s2.0-84879093497 |
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