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Title

Molecular docking and analgesic studies of Erythrina variegata’s derived phytochemicals with COX enzymes

 

Authors

Mir Muhammad Nasir Uddin1, Talha Bin Emran2,3, Muhammad Mamunur Rashid Mahib2 & Raju Dash3*

 

Affiliation

1Department of Pharmacy, University of Chittagong, Chittagong-4331, Bangladesh; 2Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong-4331, Bangladesh; 3Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000, Bangladesh

 

Email

rajudash.bgctub@gmail.com; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received September 14, 2014; Revised September 21, 2014; Accepted September 22, 2014; Published October 30, 2014

 

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. 

 

Keywords

Erythrina variegata L., Analgesic, COX-1, COX-2, in silico drug discovery, GOLD.

 

Citation

Uddin et al.   Bioinformation 10(10): 630-636 (2014)
 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.