In silico Study on the Promising Active Components of Terpenoid and Fucoidon from Sargassum sp. in Inhibiting CGRP and TNF-α

Abstract

Introduction: The new discovery of the active substance in Sargassum sp marks the new era for drug industry as it is very effective as the new migraine medication compared to analgesics which have already been popular previously in treating migraine. By using the in silico methods, this study intended to identify the preventive effect of the active substance in Sargassum sp within the stage of pain and inflammation development in migraine. In migraine pathophysiology, the clinical findings would build and verify the role of CGRP and TNF-α. Methods: This research applied a one-shot experimental study and by employing the potential test through PubChem (https://pubchem.ncbi.nlm.nih.gov/), the result of this study proved that tannins, terpenoids and fucoidone were contained in the active substance of Sargassum sp leading to the possession of potential as the drug to treat migraine. Results: Terpenoids and tannin binding affinity value is higher than other substances. Terpenoids and fucoidon had similar amino acid residues with controls. Seaweed metabolites have great potential as inhibitors of CGRP and TNF-α because the binding affinity score is close to control. Conclusion: The active substance in Sargassum sp has an inhibitory effect on the occurrence of CGRP and TNF-α in migraine based on in silico studies.