Synthesis of Nonsteroidal Anti-Inflammatory Drug (NSAID) 2,4,5-Trimethoxybenzaldehyde from Indonesian Calamus oil and Its In Silico Pharmacokinetic Study

Abstract

Seeking Nonsteroidal anti-inflammatory painkillers are in the race due to the escalating cases of the life-threatening COVID-19 pandemic. Those current Nonsteroidal Anti-inflammatory Drugs (NSAIDs) used as an inflammation adjunct treatment on the COVID-19 patients including Paracetamol, Ibuprofen, and Celecoxib, are still under dispute offering emergency development of a new potent NSAID. Meanwhile, a well-known COX-2 selective anti-inflammation 2,4,5-trimethoxybenzaldehye has not been developed further in terms of its synthetic methodology and as well its pharmacokinetic studies. Here, an article on the synthesis of 2,4,5-trimethoxybenzaldehyde from Indonesia Sweet Flag (Acorus calamus) and as well its pharmacokinetic properties studied through in silico calculation was published. A typical Asian tetraploid calamus oil was yielded in 90% pure after doing reduced pressure distillation of the crude Indonesian Sweet flag oil. Submission of that oil into a very cheap DIY ozone machine produced 95% of pure 2,4,5-trimethoxybenzaldehyde just in 10 minutes ozonised. The in silico Adsorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) prediction using free access ADMETlab 2.0 web server strongly recommended the 2,4,5-trimethoxybenzaldehyde to be an orally administered NSAID candidate.