Delineation of a Novel Non-Steroidal Anti-Inflammatory Drugs Derivative Using Molecular Docking and Pharmacological Assessment

Abstract

Cyclooxygenase inhibitors are widely used in prescription. They are the choice of drugs worldwide. The drug naproxen, which is a propionic acid nonselective cyclooxygenase inhibitor, is still preferred in arthritis, osteoarthritis and gout. The drawback associated with this drug is that it causes nausea, vomiting or gastrointestinal upsets. The cause of gastrointestinal upset may be due to perforation of gastric mucosa or ulceration. To overcome this problem, this is associated with the free carboxylic group present on naproxen. Here the parent drug is modified using glycolic acid precursors with phytophenols. The phytophenols are known for their antioxidant properties and they also reduce ulceration. The glycolic acid spacer provides a single bond rotation that promotes excellent binding with the receptor. The different derivatives of naproxen were designed and screened by computational technique based on virtual screening against human cyclooxygenase-2 enzyme through AutoDock. The identified derivatives were curtained through Lipinski’s rule of pharmacokinetics. The effective and innocuous molecule was identified. The identified derivative was synthesized, purified, characterized and pharmacological studies were done. The result obtained clearly indicating that there is a depiction in molecular docking and pharmacological studies.