In Silico Screening of Siddha Polyherbal Formulation Thontha Sura Kiyaazham against Cyclooxygenase-2

Abstract

Background
Siddha medical science is a primitive treasure of India. In this system herbals are the first choice of medicine and more herbal formulations are prescribed to alleviate the sufferings of living creatures. Molecular docking is a computational method to analyze the affinity between phytocomponents of drugs and target protein. Fever is the early symptoms of many infectious and inflammatory diseases. So the author is interested to do In Silico analysis of Thontha Sura Kiyaazham (TSK) which has been described for fever in Siddha literature.

Aim
Aim of the study was to evaluate the molecular docking interactions of Siddha polyherbal formulation Thontha Sura Kiyaazham against Cyclooxygenase 2 with PDB - 6 COX to analyze, its therapeutic effectiveness and mechanism of action.
Methods
Autodock program was used for In Silico studies of phytocomponents of ThonthaSura Kiyaazham (TSK) against Cyclooxygenase-2 with PDB - 6 COX
Results
Total of 7 bioactive components were screened namely Andrograpanin, Andrographolide, Vitexin, Orientin, Cyperolone, Tinosporide and Picein. All the compounds have maximum of 7 to 9 interactions with core amino acid residues present on the target enzyme cyclooxygenase 2 in comparison with the standard drug Celecoxib which impose 5 viable interactions with the active site of the enzyme.
Conclusion
Based on the results of the computational screening, it was concluded that all the bio active components of TSK may act as a potential therapeutic agent for Anti inflammatory, Anti pyretic and Analgesic activities.