02149nas a2200265 4500008004100000245009900041210006900140260001400209300001200223490000700235520133200242653001501574653001901589653001201608653001401620653001701634653002301651100002201674700003101696700001901727700002701746700002901773700001801802856006301820 2022 eng d00aIn silico Investigation on Phytoconstituents in Pamburus missionis S. for Antioxidant Activity0 aIn silico Investigation on Phytoconstituents in Pamburus mission cJuly 2022 a246-2500 v143 a

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.

10a3-dimethyl10aBenzoic acid 210aDocking10ain silico10aLipinski’s10aPamburus missionis1 aPeeriga, Raveesha1 aAdarapu, Keerthi, Priyanka1 aKurama, Akhila1 aMohammed, Naseemunnisa1 aAtmakuri, Lakshmana, Rao1 aKumar, Deepak uhttps://www.phcogres.com/article/2022/14/3/105530pres14335