Evaluation of In vitro anti-inflammatory activity and Insilico pharmacokinetics and molecular docking study of Horsfieldia iryaghedhi
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2024
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Abstract
Phytochemicals are still a valuable source to develop clinically important
drugs in treating chronic and acute diseases. Inflammation is a response to an
injurious stimulus of the body and novel therapeutic agents are needed to
alleviate the condition with minimum side effects. Matured and fully expanded
fresh leaves and barks of H. iryaghedhi were collected, and the extractions
were obtained cold maceration using 99.9% methanol and distilled water as
solvents. A concentration series was then developed, and the anti-inflammatory
activity was evaluated against Diclofenac sodium as the positive control, using
the heat-induced egg albumin denaturation method. Further, selected
phytochemicals were tested against COX-2 enzyme (PDB ID: 5IKR) using
site-specific molecular docking with autodock vina and the binding energies and
pharmacokinetic and toxicity parameters were evaluated. Results: The methanol
and aqueous extracts have shown a moderate to strong concentration-dependent
anti-inflammatory activity with reference to standard Diclofenac sodium and
Methanol bark extract exhibited potent anti-inflammatory activity compared to
other extracts . Further, Methanol and aqueous extracts showed a statistically
significant correlation between concentration and percentage inhibition. The
molecular docking results suggest that the phytochemicals available on the
plant have possible COX-2 inhibitory activity and the compounds selected
(Methyl 2,4- dihydroxy-6-methylbenzoate and N, N-Dimethyl-5-methoxy tryptamine)
even got favourable toxicity and pharmacokinetic parameters confirming their
drugability.
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| Authors | Rajapaksha HKK; Fernando MN; Nelumdeniya NRM; Bandara AWMKK; Silva ARN |
| Journal | arXiv |
| Year | 2024 |
| DOI |
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