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

Raveesha Peeriga, Keerthi Priyanka Adarapu, Akhila Kurama, Naseemunnisa Mohammed, Lakshmana Rao Atmakuri, Deepak Kumar
2022 Pharmacognosy Research  
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
more » ... aled 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.
doi:10.5530/pres.14.3.35 fatcat:kaanycgsqjflfenlx2dxpdlxoe