Article · Volume 14, Issue 3 · pp. 246–250

In silico Investigation on Phytoconstituents in Pamburus missionis S. for Antioxidant Activity

Raveesha Peeriga¹, Keerthi Priyanka Adarapu¹, Akhila Kurama¹, Naseemunnisa Mohammed¹, Lakshmana Rao Atmakuri¹, Deepak Kumar²

¹Department of Pharmacognosy, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, INDIA.
²Department of Pharmacognosy, Ranchi College of Pharmacy, Ranchi, Jharkhand, INDIA.

Abstract

Background: Pamburus missionisis geographically originated from southern India and it has been used for ailments.Objectives: This current research was performed to analyze in silico evaluation of phytoconstituents present in Pamburus missionis for antioxidant activity.Materials and Methods: In silicoactivity of the isolated constituents for antioxidant activity was carried out by Autodock 4.0 and absorption, distribution, metabolism, excretion/toxicity assessed by online tools.Results: The results revealed that the phytocompounds, benzoic acid 2,3-dimethyl showed the good docking score of -5.8 kcal/mol, which was a mere docking score of standard curcumin, i.e., -6.6 kcal/mol hence proving that a good binding compatibility among the ligand and the receptor site NADPH oxidase. The Absorption, distribution, metabolism, excretion/toxicity evaluation of phytoconstituents assures that they had obeyed Lipinski’s guideline of five suggesting their safety consumption.Conclusion: To conclude, Pamburus missionis can be a good resource of antioxidant activity and simulation studies is needed to ensure the antioxidant activity of benzoic acid 2,3-dimethyl.

Keywords: 3-dimethyl; Benzoic acid 2; Docking; in silico; Lipinski’s; Pamburus missionis

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