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

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'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.

In vitro Antioxidant Activity and Preliminary Phytochemical Evaluation of Different Extracts of Aerva javanica

“…OS has been mentioned as a possible factor in the aetiology of numerous disorders include diabetes, heart disease, and cancer. [6] Numerous cellular constituents, such as lipids, proteins, and nucleic acids like DNA, are damaged by ROS, which results in cellular death through necrosis or apoptosis. Due to compromised cellular antioxidant defence mechanisms, the damage may spread further.…”

“…hypochlorite and superoxide anion radicals, hydrogen peroxide, singlet oxygen, etc., and extrinsic factors such as pollution, smoking, ionizing radiation, organic solvents, pesticides, etc., [5] is the risk factors leads to numerous several chronic diseases such as asthma, inflammatory diabetes, cancers, atherosclerosis etc., [6] Cells of mammals possesses enzymes such as superoxide dismutase, catalase or glutathione peroxidase as intracellular defences to protect the cells from the free radicals injury. Extraneous addition of antioxidants such as vitamins viz., A and E), minerals viz., Se and Zn, and proteins viz., transferrin, ceruloplasmin, albumin give added protection.…”

Headspace Solid Phase Micro-Extraction of Volatile Constituents Produced from Saudi Ruta chalepensis and Molecular Docking Study of Potential Antioxidant Activity

“…Molecular docking is a time-efficient and cost-effective method used to explore the complexity of protein–ligand interactions, which helps design, synthesize, and discover therapeutically important drugs. It is used in protein engineering and medicinal chemistry as well as other biological and medicinal areas [ 14 ]. Many enzyme systems such as NADPH oxidase, cytochrome P450 reductase, nitric oxide synthases, and xanthine oxidase when inhibited will exhibit antioxidant and reactive oxygen scavenging potencies.…”