Natural Chemical Entities as Bioactive Moiety from Weaver Ant, Oecophylla Smaragdina: An In Vitro and In Silico Study

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Author(s): Suchismeeta Behera*, Priyanka Dash, Amulyaratna Behera, Chinmaya Chidananda Behera, Prafulla Kumar Mohanty

Journal Name: Letters in Drug Design & Discovery

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Background: Since time immemorial the ethnic community of Mayrubhanj District, Odisha, India has preferred to Olecophylla smaragdina as traditional medicine for their multiple ailments. Hence, the objective of the investigation is to scientifically examine the myth behind ethno-zoological claims using chemometric analysis as well as in vitro and in silico study.

Methods: The maceration method was used for the extraction of O. smaragdina using hexane and methanol. In this study, various bioactive compounds of O. smaragdina were identified through GC MS analysis followed by an antimicrobial activity. The species was further studied for their binding modes for in silico inhibition of a choice of bacterial proteins using Biovia Discovery studio software.

Results: Tetradecanoic acid, hexadecanoic acid, methyl ester, hexadecenoic acid, n-hexadecanoic acid, 9-octadecenoic acid, methyl ester, oleic acid, 9-octadecenamide are some important bioactive constituents identified through GCMS analysis. The hexane extract was found to be maximum inhibitory activity against Staphyllococus aureus. The % inhibitory activity of hexane and methanolic extract against S. aureus at a concentration of 400 μg/mL was found to be 90 and 83%, respectively. The high inhibitory capacity of the n-hexane extract was comparable to the standard drug Gentamycin which further supported the high receptor binding affinity of identified compound Octadecanoic acid towards Tyrosol-t RNA synthetase of staphylococcus aureus (PDB ID: 1JIK).

Conclusion: Interestingly, this is probably the first report that the obtained bioactive molecules from O. smaragdina showed that binding site identification to carry out molecular docking studies and results showed that the better affinity to bind with suitable targeted moiety.

Keywords: Oecophylla smaragdina, turbidometry, viable count, chemometric analysisOecophylla smaragdina, turbidometry, viable count, chemometric analysis

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(E-pub Ahead of Print)
DOI: 10.2174/1570180817999201211191850
Price: $95

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