%0 Journal Article %J Pharmacognosy Research %D 2022 %T In silico Investigation on Phytoconstituents in Pamburus missionis S. for Antioxidant Activity %A Raveesha Peeriga %A Keerthi Priyanka Adarapu %A Akhila Kurama %A Naseemunnisa Mohammed %A Lakshmana Rao Atmakuri %A Deepak Kumar %K 3-dimethyl %K Benzoic acid 2 %K Docking %K in silico %K Lipinski’s %K Pamburus missionis %X

Background: Pamburus missionis is 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 silico activity 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.

%B Pharmacognosy Research %V 14 %P 246-250 %8 July 2022 %G eng %N 3 %9 Original Article %M 03 %& 246 %R 10.5530/pres.14.3.35