Small Heterocyclic Ligands as Anticancer Agents: QSAR with a Model G-Quadruplex

Small Heterocyclic Ligands as Anticancer Agents: QSAR with a Model G-Quadruplex

G-quadruplexes (GQs) have become valid targets for anticancer studies in recent decades due to their multifaceted biological function. Herewith, we aim to quantify interactions of potential heterocyclic ligands (Ls) with model GQs. For seven 4-aminoquinazolines and three 2-heteroaryl perimidines, se...

Full description

Bibliographic Details
Main Authors: Jose Kaneti, Vanya Kurteva, Milena Georgieva, Natalia Krasteva, George Miloshev, Nadezhda Tabakova, Zhanina Petkova, Snezhana M. Bakalova
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Molecules
Subjects:
nitrogen heterocyclic ligands
G-quadruplexes
stacking interactions
DFT GQ-ligand affinity vs. IC50 relationship
quantum chemical calculations
Online Access:https://www.mdpi.com/1420-3049/27/21/7577

Internet

https://www.mdpi.com/1420-3049/27/21/7577

Similar Items