IN SILICO STUDIES ON Tithonia DiversifoliaDERIVED PHYTOCHEMICALS AS POTENT INHIBITOR OF CYCLOOXYGENASE

OLUWAMODUPE CECILIA EJELONU1; 2; 3; OLUSOLA OLALEKAN ELEKOFEHINTI1; 2; IDOWU OLAPOSI OMOTUYI1; 2; ISAAC GBADURA ADANLAWO

Abstract

IN SILICO STUDIES ON Tithonia DiversifoliaDERIVED PHYTOCHEMICALS AS POTENT INHIBITOR OF CYCLOOXYGENASE

Author(s): OLUWAMODUPE CECILIA EJELONU*1,2,3, OLUSOLA OLALEKAN ELEKOFEHINTI1,2, IDOWU OLAPOSI OMOTUYI1,2, ISAAC GBADURA ADANLAWO

Objectives:Prostaglandins released by the activity ofthebifunctionalenzyme, cyclooxygenase (COX) are involved in physiological functions such as protection of the stomach mucosa, aggregation of platelets and regulation of kidney function. Conversely, prostaglandins have been implicated in inflammation, thereby representing an important target for non-steroidal anti-inflammatory drugs.Material and methods:In this study, natural compounds from Tithonia diversifolia (a known anti-inflammatory plant) have been evaluated for their interaction with COX in comparison with ibuprofen using computational methods. T. diversifolia phytocompounds were docked into COX active site using Autodock/Vina Plugin in PyMol.Result:All phytocompounds from T. diversifolia show better interactions than ibuprofen with myricetin and quercetin having the highest binding energy of -9.1 Kcal/mol (ibuprofen -6.2 Kcal/mol).Conclusion: These phytocompounds can be considered as potential COX inhibitor thereby leading credence to the use of T. diversifolia as an anti-inflammatory plant.

PDF