Ali Irfan, Shah Faisal, Sajjad Ahmad, Muhammad Jawwad Saif, Ameer Fawad Zahoor, Samreen Gul Khan, Jamila Javid, Sami A Al-Hussain, Muhammed Tilahun Muhammed, Magdi E A Zaki
Benzofuran, 1,3,4-oxadiazole, and 1,2,4-triazole are privileged heterocyclic moieties that display the most promising and wide spectrum of biological activities against a wide variety of diseases. In the current study, benzofuran-1,3,4-oxadiazole BF1 - BF7 and benzofuran-1,2,4-triazole compounds BF8 - BF15 were tested against HCV NS5B RNA-dependent RNA polymerase (RdRp) utilizing structure-based screening via a computer-aided drug design (CADD) approach. A molecular docking approach was applied to evaluate the binding potential of benzofuran-appended 1,3,4-oxadiazole and 1,2,4-triazole BF1 - BF15 molecules...
November 17, 2023: Biomedicines