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| 1 | Resveratrol inhibits matrix metalloproteinases to attenuate neuronal damage in cerebral ischemia:a molecular docking study exploring possible neuroprotection显示文摘The main pathophysiology of cerebral ischemia is the structural alteration in the neurovascular unit, coinciding with neurovascular matrix degradation. Resveratrol has been reported to be one of the most potent chemopreventive agents that can inhibit cellular processes associated with ischemic stroke. Matrix metalloproteinases(MMPs) has been considered as a potential drug target for the treatment of cerebral ischemia. To explore this, we tried to investigate the interaction of resveratrol with MMPs through molecular docking studies. At 30 minutes before and 2 hours after cerebral ischemia/reperfusion induced by occlusion of the middle cerebral artery, 40 mg/kg resveratrol was intraperitoneally administered. After resveratrol administration, neurological function and brain edema were significantly alleviated, cerebral infarct volume was significantly reduced, and nitrite and malondialdehyde levels in the cortical and striatal regions were significantly decreased. The molecular docking study of resveratrol and MMPs revealed that resveratrol occupied the active site of MMP-2 and MMP-9. The binding energy of the complexes was –37.848672 k J/mol and –36.6345 k J/mol for MMP-2 and MMP-9, respectively. In case of MMP-2, Leu 164, Ala 165 and Thr 227 were engaged in H-Bonding with resveratrol and in case of MMP-9, H-bonding was found with Glu 402, Ala 417 and Arg 424 residues. These findings collectively reveal that resveratrol exhibits neuroprotective effects on cerebral ischemia through inhibiting MMP-2 and MMP-9 activity. | Anand Kumar Pandey Pallab Bhattacharya Swet Chand Shukla Sudip Paul Ranjana Patnaik | 2015 | Neural Regeneration Research2015，10，4： | 12 |
| 2 | A possible therapeutic potential of quercetin through inhibition of μ-calpain in hypoxia induced neuronal injury:a molecular dynamics simulation study显示文摘The neuroprotective property of quercetin is well reported against hypoxia and ischemia in past studies.This property of quercetin lies in its antioxidant property with blood-brain barrier permeability and anti-inflammatory capabilities.μ-Calpain,a calcium ion activated intracellular cysteine protease causes serious cellular insult,leading to cell death in various pathological conditions including hypoxia and ischemic stroke.Hence,it may be considered as a potential drug target for the treatment of hypoxia induced neuronal injury.As the inhibitory property of μ-calpain is yet to be explored in details,hence,in the present study,we investigated the interaction of quercetin with μ-calpain through a molecular dynamics simulation study as a tool through clarifying the molecular mechanism of such inhibition and determining the probable sites and modes of quercetin interaction with the μ-calpain catalytic domain.In addition,we also investigated the structure-activity relationship of quercetin with μ-calpain.Affinity binding of quercetin with μ-calpain had a value of –28.73 k J/mol and a Ki value of 35.87 μM that may be a probable reason to lead to altered functioning of μ-calpain.Hence,quercetin was found to be an inhibitor of μ-calpain which might have a possible therapeutic role in hypoxic injury. | Anand Kumar Pandey Swet Chand Shukla Pallab Bhattacharya Ranjana Patnaik | 2016 | Neural Regeneration Research2016，11，8： | 3 |
| 3 | Measuring the accuracy of diagnostic systems 显示文摘 | SWETS j A | 1988 | Science1988，240，： | 1 |
| 4 | Using discriminant eigenfeatures for image retrieval显示文摘 | Swets D L Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 5 | Using Discriminant Eigenfeatures for Image Retrieval 显示文摘 | SWETS D L WENG J | 1996 | IEEE Trans on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 6 | Using diseriminant eigenfeatures for image retrieveal显示文摘 | Swets D Weng J | 1996 | IEEE Transaction on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 7 | A generalized cyclic reduction algorithm显示文摘 | Swet R A | 1974 | SIAM Journal onNumericalAnalysis1974，11，3： | 1 |
| 8 | Using diserimiant eigenfeatures for image retrieval显示文摘 | DANIEIL L SWETS JOHN WENG | 1996 | IEEE Trans Pattern Anal Machine Intell1996，18，7： | 1 |
| 9 | Using Discriminant Eigenfeatures for Im age Retrieval 显示文摘 | Swets D Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 10 | Measuring the accuracy of diagnostic systems 显示文摘 | Swets JA | 1988 | Science1988，240，4857： | 1 |
| 11 | Using discriminant eigenfeatures for image retrieval 显示文摘 | Swets D Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 12 | Using Discriminant Eigenfeatures for Image Retrieval显示文摘 | Swets D L Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machine Intelligence (S0162-8828)1996，18，8： | 1 |
| 13 | Using Discriminant Eigenfeatures for Image Retrieval 显示文摘 | SWETS D L WENG J | 1996 | IEEE Trans on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 14 | Measuring the accuracy of diagnostic systems显示文摘 | Swets JA | 1998 | Science1998，240，： | 1 |
| 15 | Measuring the Diagnostic Systems显示文摘 | Swets J A | 1988 | Science1988，240，： | 1 |
| 16 | Using diseriminant eigenfeatures for image retrieval 显示文摘 | Swets D L Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 17 | Using discriminant eigenfeatures for image retrieval 显示文摘 | Swets D L Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machinelntelligence(S0162-8828)1996，18，8： | 1 |
| 18 | Using discriminant eigenfeatures for image retrieval显示文摘 | Swets D L Weng J | 1996 | IEEE Transactions on Pattern Analysis and Machine Intelligence1996，18，8： | 1 |
| 19 | Measuring the accuracy of diagnostic systems 显示文摘 | Swets JA | 1988 | Science1988，240，： | 1 |
| 20 | Measuring the accuracy of diagnostic systems 显示文摘 | Swets JA | 1988 | Sci- ence1988，240，4857： | 1 |
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