In-Silico Drug Design and Molecular Docking Studies of Some Novel Thiophene Derivatives Targeting Pde4d Inhibitors as Chronic Obstructive Pulmonary Disease Agents

Chronic obstructive pulmonary disease (COPD) is a progressive respiratory disorder characterized by airflow limitation and inflammation. Phosphodiesterase 4D (PDE4D) inhibitors have emerged as promising therapeutic targets for COPD due to their ability to modulate cyclic AMP levels and reduce inflammation. In this study, an in-silico approach was employed to design and evaluate novel thiophene derivatives as potential PDE4D inhibitors. Molecular docking studies were conducted to predict the binding interactions of these derivatives within the active site of PDE4D. The docking results revealed strong binding affinities, indicating that these compounds could effectively inhibit PDE4D activity. The key interactions between the ligands and the amino acid residues within the PDE4D binding pocket were analysed to understand the structure-activity relationships (SAR). Furthermore, ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiling ensured that the designed derivatives possess favourable pharmacokinetic properties. This study highlights the potential of thiophene derivatives as lead compounds for the development of new COPD therapies.