IN SILICO STUDIES ON Tithonia Diversifolia DERIVED PHYTOCHEMICALS AS POTENT INHIBITOR OF CYCLOOXYGENASE
Journal Title: Mintage journal of pharmaceutical and medical sciences - Year 2016, Vol 5, Issue 3
Abstract
Objectives: Prostaglandins released by the activity of the bifunctional enzyme, 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.
Authors and Affiliations
OLUWAMODUPE CECILIA EJELONU, OLUSOLA OLALEKAN ELEKOFEHINTI, IDOWU OLAPOSI OMOTUYI, ISAAC GBADURA ADANLAWO
Keywords
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- EP ID EP438703
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IN SILICO STUDIES ON Tithonia Diversifolia DERIVED PHYTOCHEMICALS AS POTENT INHIBITOR OF CYCLOOXYGENASE
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