TY - JOUR T1 - In silico Investigation on Phytoconstituents in Pamburus missionis S. for Antioxidant Activity JF - Pharmacognosy Research Y1 - 2022 A1 - Raveesha Peeriga A1 - Keerthi Priyanka Adarapu A1 - Akhila Kurama A1 - Naseemunnisa Mohammed A1 - Lakshmana Rao Atmakuri A1 - Deepak Kumar KW - 3-dimethyl KW - Benzoic acid 2 KW - Docking KW - in silico KW - Lipinski’s KW - Pamburus missionis AB -

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.

VL - 14 IS - 3 ER -