Abstract
Secondary metabolites from plants are a good source for the NSAID drug development. We studied the analgesic activity of ethanolic extract of Erythrina variegata L. (Fabaceae) followed by molecular docking analysis. The analgesic activity of Erythrina variegata L. is evaluated by various methods viz., acetic acid-induced writhing test, hot plate and tail immersion test. Subsequently, molecular docking analysis has been performed to identify compounds having activity against COX-1 and COX-2 enzymes by using GOLD docking fitness. The result of preliminary phytochemical screening revealed that the extract contains alkaloids and flavonoids. In analgesic activity tests, the extract at the doses of 50, 100 and 200 mg/kg body weight (b.w.) produced a increase in pain threshold in a dose dependent manner. In acetic acid induced writhing test, the inhibitory effect was similar to the reference drug diclofenac sodium. The extract showed 18.89% writhing inhibitory effect at the dose 200 mg/kg b.w., whereas diclofenac sodium showed 79.42% inhibition of writhing at a dose of 10 mg/kg b.w. The results of tail immersion and hot plate test also showed potential analgesic activity of the extract which is also comparable to the standard drug morphine (5 mg/kg b.w.). Docking studies shows that phaseollin of Erythrina variegata L. has the best fitness score against the COX-1 which is 56.64 and 59.63 for COX- 2 enzyme. Phaseollin of Erythrina variegata L. detected with significant fitness score and hydrogen bonding against COX-1 and COX-2 is reported for further validation.
Highlights
Secondary metabolites from plants are a good source for the NSAID drug development
The present study has established analgesic potential of E. variegata using acetic acid induced writhing test for visceral pain and tail immersion and hot plate tests for pain mediated by central activity
The ethanolic extracts of E. variegata at the dose of 200 mg/kg b.w. were found to exhibit the highest 18.89% writhing inhibitory response, where the reference drug diclofenac sodium showed about 79.42% writhing inhibitory response at a dose of 10 mg/kg b.w
Summary
All compounds-Isoquinoline, The analgesic effect ethanolic extracts of E. variegata at dose. Sybyl 7.3 Molecular Modeling Suite of Tripos, Inc. 3D The tail withdrawal reflex time following administration of the conformations were generated using Concord 4.0 [25], ethanolic extracts of E. variegata at dose level of 50, 100 and 200 hydrogen atoms were added and charges were loaded using mg/kg b.w. was found almost remain the same consistency the Gasteiger and Marsili charge calculation method [26]. Basic with increasing dose of the sample which is comparable to amines were protonated and acidic carboxyl groups were de- the reference drug Table 3 (see supplementary material). The AMPPD ligand was minimized with the Tripos Force Field prior to docking using Tail immersion test the Powell method with an initial Simplex [27] optimization The tail withdrawal reflex time following administration of the and 1000 iterations or gradient termination at 0.01 ethanolic extracts of E. variegata at dose level of 50, 100 and 200 kcal/(mol*A). With increasing dose of the sample which is comparable to the reference drug Table 4 (see supplementary material)
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