In-vitro and In-silico Anti-inflammatory Activity of a Common Bangladeshi Fruit: An Approach to Find Selective COX-2 Inhibitors

Abstract

Background: From the ancient time, medicinal plants are utilized to mitigate different disease. In Ayurveda and Siddha indigenous medicinal systems, the bark of Syzygium cumini (L.) (Myrtaceae) is used for sore bronchitis, asthma, throat, dysentery, seasickness and ulcers. Objectives: The present experiment was executed to explore the anti-inflammatory property of Syzygium cumini fruit from it’s methanolic extract through phytochemical screening as well as the in-silico approach. Methods: In this experiment, standard method such as human red blood cell (HRBC) membrane stabilizing method was utilized to discover the phytochemical responsible for anti-inflammatory activity present in methanolic crude extract of Syzygium cumini fruits. In-silico ADME/T and molecular docking study was performed to assess the potential of stated phytochemicals against Cyclooxygenase-II enzyme. Findings: The presence of flavonoids, alkaloids, glycosides, tannins and saponins were confirmed by phytochemical screening. In membrane stabilizing method, the extract showed a maximum membrane stabilizing effect on HRBC with 62.381% at 1000 µg/mL in hypotonic solution 37.619% hemolysis were found when compared with standard drug Diclofenac sodium exhibited 87.143% protection. Twenty-three phytochemicals exhibit notable pharmacokinetics properties and passed drug likeness screening test in silico. In molecular docking study, Dihydromyricetin showed docking score (-9.1 kJ/mol) near as high as standard drug Celecoxib (-9.5 kJ/mol) with significant non-bonding interactions with target enzyme. Conclusions: The result of the present study demonstrates a favorable baseline in progression for the possible use of fruit of Syzygium cumini to treat inflammation.