Molecular design and synthesis of HCV inhibitors based on thiazolone scaffold
Al-Ansary, Ghada H; Ismail, Mohamed A H; Abou El Ella, Dalal; Eid, Sameh; Abouzid, Khaled;
Abstract
A series of thiazolone derivatives was designed and synthesized as potential HCV NS5B allosteric polymerase inhibitors at the allosteric site thumb II. Their antiviral activity was evaluated and molecular modeling was utilized to give further envision on their probable binding modes in the allosteric binding site. Among the tested molecules, compound 9b displayed sub-micromolar inhibitory activity with an EC50 of 0.79 μM indicating excellent potency profile. It also showed good safety profile (CC50≥75 μM and SI≥94.3).
Other data
| Title | Molecular design and synthesis of HCV inhibitors based on thiazolone scaffold | Authors | Al-Ansary, Ghada H; Ismail, Mohamed A H; Abou El Ella, Dalal ; Eid, Sameh; Abouzid, Khaled | Keywords | Glide docking;HCV;HCV NS5B inhibitor;Sulfonamide derivatives;Thiazole | Issue Date | Oct-2013 | Publisher | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER | Journal | European Journal of Medicinal Chemistry | Volume | 68 | Start page | 19 | End page | 32 | ISSN | 0223-5234 | DOI | 10.1016/j.ejmech.2013.07.006 | PubMed ID | 23933047 | Scopus ID | 2-s2.0-84881160575 | Web of science ID | WOS:000326902300003 |
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