Integrating synthesis, pharmacological evaluation, and molecular dynamics simulation of novel 8-substituted theophylline hybrids as potential PDE-4B inhibitors, bronchodilators and antibacterial
Key Points
The integration of synthesis and evaluation identifies novel 8-substituted theophylline hybrids as potent pde-4b inhibitors.
Findings show significant bronchodilating effects when tested in vitro, with some compounds outperforming traditional ones.
Molecular dynamics simulation provides insights into the binding interactions and stability of these hybrids with the pde-4b target.
Potential antibacterial properties of the hybrids highlight a dual therapeutic application beyond respiratory conditions.