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Binding studies of trans-resveratrol with superoxide dismutase (SOD1): Docking assessment and Thermoanalysis
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作者 Janhvi Dureja Renu Chadha +2 位作者 Maninder Karan Akshita Jindal Kunal Chadha 《Journal of Pharmaceutical and Biopharmaceutical Research》 2019年第1期21-27,共7页
The binding pursuits of trans-resveratrol(t-RSV),an amazing health supplement are investigated with an antioxidant enzyme,superoxide dismutase(SOD1).The aim of the study is to dock t-RSV on the adrenaline binding site... The binding pursuits of trans-resveratrol(t-RSV),an amazing health supplement are investigated with an antioxidant enzyme,superoxide dismutase(SOD1).The aim of the study is to dock t-RSV on the adrenaline binding site on SOD1 in order to explore its potential to act as a safety net against amyotrophic lateral sclerosis(ALS),a fatal neurodegenerative disorder that affects motor neurons.In silico GLIDE docking methodology and in vitro microcalorimetry technique is utilized for the investigation of binding parameters of t-RSV with SOD1.The study provides useful and distinct information about the amino acids involved in the interactions at molecular level along with the nature of forces involved in binding of t-RSV with SOD1.The docking analysis using the scoring functions of Schrodinger’s Glide package depicts that GLU100,PRO28,LYS23,TRP32 residues of the peptide backbone on SOD1 interact with phenolic groups of t-RSV.The information on thermodynamic parameters,i.e.binding constant(Kb),free energy(△G)and enthalpy(△H)generated through calorimetric titrations suggests that the reaction between t-RSV and SOD1 is spontaneous and exothermic.Both the studies are found to be in close agreement with each other based as far as the magnitude of binding constant(Kb=9.9×10^4)is concerned. 展开更多
关键词 trans-resveratrol superoxide DISMUTASE DOCKING MICROCALORIMETRY binding constant free energy
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Toxicological Assessment of Trans-resveratrol 被引量:4
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作者 ZENG Jian-guo1,3,HU Yi-xiu2,ZHANG Xiang-qian1 1.Natural Product Research Center,Hunan Agricultural University,Changsha 410016,China 2.Toxicological Laboratory,Hunan Provincial Center for Disease Control and Prevention,Changsha 410005,China 3.Hunan Engineering Research Center of Botanical Extract,Changsha 410331,China 《Chinese Herbal Medicines》 CAS 2010年第1期30-40,共11页
Objective To evaluate toxicity and safety of trans-resveratrol(t-RSV).Methods For assays of acute toxicity,genetic toxicity,and sub-chronic toxicity,Ames test,mice bone marrow erythrocyte micronucleus,and mice sperm a... Objective To evaluate toxicity and safety of trans-resveratrol(t-RSV).Methods For assays of acute toxicity,genetic toxicity,and sub-chronic toxicity,Ames test,mice bone marrow erythrocyte micronucleus,and mice sperm abnormality were performed.Results In the acute oral toxicity tests,maximum tolerable dose(15g/kg) in male and female Kunming mice showed no toxicological signs.For 90-d feeding of t-RSV at dosage range of 167–500 mg/(kg·d) in both male and female Sprague-Dawley rats,no noticeable toxicological effects were observed.Conclusion T-RSV has no acute toxicity and no genotoxicity,no harmful effects on the human body at the tested dosage range and thus resveratrol is safe for human consumption. 展开更多
关键词 TOXICITY toxicological assessment trans-resveratrol
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