@article {1059, title = {In silico Investigation on Phytoconstituents in Pamburus missionis S. for Antioxidant Activity}, journal = {Pharmacognosy Research}, volume = {14}, year = {2022}, month = {July 2022}, pages = {246-250}, type = {Original Article}, chapter = {246}, abstract = {

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{\textquoteright}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{\textquoteright}s, Pamburus missionis}, doi = {10.5530/pres.14.3.35}, author = {Raveesha Peeriga and Keerthi Priyanka Adarapu and Akhila Kurama and Naseemunnisa Mohammed and Lakshmana Rao Atmakuri and Deepak Kumar} }