In-Silico & Biological Activity Evaluation of Herbal and Synthetic Compound for the Treatment of Arthritis: A comparative ADMET Analysis

Abstract

This study evaluates the potential of natural phytoconstituents Curcumin, Boswellic acid, Linoleic acid, and Colchicine derived from herbal remedies used in the treatment of Rheumatoid Arthritis (RA), and compares them with the synthetic drug Methotrexate. Using in-silico tools such as ADMETlab 3.0, PubChem, and Molinspiration, the compounds were analysed for their pharmacokinetic (ADMET) properties and biological activity. Results showed that the natural compounds exhibited good absorption, enzyme inhibition potential, and lower toxicity profiles compared to Methotrexate, which, despite its effectiveness, showed higher toxicity. The findings suggest that natural phytoconstituents, particularly Curcumin, could serve as safer and effective alternatives in RA therapy.