Akademik Veri Yönetim Sistemi
The 12th International Drug Chemistry Congress, Antalya, Türkiye, 7 Mart - 10 Kasım 2024, ss.217
Abstract: The carbamate functional group is an important functional group found in many
pharmaceutical compounds and used in pesticides, as well as showing many properties such as
antiviral, anti-inflammatory and antimicrobial.1,2 Triazoles, on the other hand, are a class of
heterocyclic compounds that show especially antifungal properties, as well as a wide range of
biological properties such as anticancer, antibacterial, antituberculosis, antiviral and anti-
inflammatory.3
Triazoles are also used in medicinal chemistry as a linker two bioactive functional
groups together. The information we obtain through computational drug design approaches provides
guidance for the identification and synthesis of new and more effective compounds. In this study, a
triazolecarbamate compound series containing these two functional groups was designed and its
effect AChE inhibition potential was evaluated by 3D pharmacophore modeling, molecular docking,
molecular dynamics, and Molecular Mechanics General Born Surface Area (MM-GBSA) calculations.4