Abstract:
:Calcium/calmodulin-dependent protein kinase IV (CaMKIV) is an upstream regulator of CaMKK-CaMKIV signaling cascade that activates various transcription factors, thereby regulating several cellular activities including, neuronal communication and immune response. Owing to the abnormal expression in cancer and neurodegenerative diseases, the CaMKIV has been considered a potential drug target. In the present study, we checked the binding affinity of plant-derived natural compounds viz., quercetin, ellagic acid (EA), simvastatin, capsaicin, ursolic acid, DL-α-tocopherol acetate, and limonin towards CaMKIV. Molecular docking and fluorescence binding studies showed that EA and quercetin bind to the CaMKIV with a considerable affinity in comparison to other compounds. Enzyme inhibition assay revealed that both EA and quercetin inhibit CaMKIV activity with their IC50 values in the micromolar range. To get atomistic insights into the mode of interactions, inhibition mechanism, and the stability of the CaMKIV-ligand complex, a 100 ns MD simulation analysis was performed. Both EA and quercetin bind to the catalytically important residues of active site pocket of CaMKIV forming enough stabilizing interactions presumably inhibiting enzyme activity. Moreover, no significant structural change in the CaMKIV was observed upon binding of EA and quercetin. In conclusion, this study illustrates the application of phytoconstituents in the development of therapeutic molecules targeting CaMKIV having implications in cancer and neurodegenerative diseases after in vivo validation.
journal_name
Oxid Med Cell Longevjournal_title
Oxidative medicine and cellular longevityauthors
Gupta P,Khan S,Fakhar Z,Hussain A,Rehman MT,AlAjmi MF,Islam A,Ahmad F,Hassan MIdoi
10.1155/2020/2094635subject
Has Abstractpub_date
2020-07-16 00:00:00pages
2094635eissn
1942-0900issn
1942-0994journal_volume
2020pub_type
杂志文章abstract::Fisetin, a known antioxidant, has been found to be cytotoxic against certain cell lines. However, the mechanism by which it inhibits tumor growth in vivo remains unexplored. Recently, we have demonstrated that Aflatoxin-B1 (AFB1) induced hepatocarcinogenesis is associated with activation of oxidative stress-inflammato...
journal_title:Oxidative medicine and cellular longevity
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journal_title:Oxidative medicine and cellular longevity
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journal_title:Oxidative medicine and cellular longevity
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2019/4862760
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abstract::The prodrug potential of Mahonia aquifolium, a plant used for centuries in traditional medicine, recently gained visibility in the literature, and the activity of several active compounds isolated from its extracts was studied on biologic systems in vitro and in vivo. Whereas the antioxidative and antitumor activities...
journal_title:Oxidative medicine and cellular longevity
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doi:10.1155/2019/6439021
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abstract::Type 2 diabetes mellitus is a chronic metabolic disorder characterized by elevated blood glucose and/or high serum free fatty acids. Chronic hyperlipidemia causes the dysfunction of pancreatic beta cells, which is aggravated in the presence of hyperglycemia (glucolipotoxicity). Long noncoding RNAs (lncRNAs) have been ...
journal_title:Oxidative medicine and cellular longevity
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doi:10.1155/2019/4010764
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journal_title:Oxidative medicine and cellular longevity
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章,评审
doi:10.1155/2018/3074769
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abstract::With recent insight into the mechanisms involved in diseases, such as cardiovascular disease, cancer, stroke, neurodegenerative diseases, and diabetes, more efficient modes of treatment are now being assessed. Traditional medicine including the use of natural products is widely practiced around the world, assuming tha...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章,评审
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2015/804659
更新日期:2015-01-01 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2020/6801587
更新日期:2020-10-07 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章,评审
doi:10.1155/2020/4063562
更新日期:2020-02-17 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2020/1079129
更新日期:2020-01-21 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2019/1915967
更新日期:2019-08-21 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章,评审
doi:10.1155/2016/2756068
更新日期:2016-01-01 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2016/8696587
更新日期:2016-01-01 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2014/726539
更新日期:2014-01-01 00:00:00
abstract::Although hyperuricemia is shown to accelerate chronic kidney disease, the mechanisms remain unclear. Accumulating studies also indicate that uric acid has both pro- and antioxidant properties. We postulated that hyperuricemia impairs the function of glomerular podocytes, resulting in albuminuria. Hyperuricemic model w...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2017/3759153
更新日期:2017-01-01 00:00:00
abstract:Background:Zinc plays a role in mitophagy and protects cardiomyocytes from ischemia/reperfusion injury. This study is aimed at investigating whether SUMOylation of Drp1 is involved in the protection of zinc ion on cardiac I/R injury. Methods:Mouse hearts were subjected to 30 minutes of regional ischemia followed by 2 ...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2019/1232146
更新日期:2019-07-22 00:00:00
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journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2017/7340143
更新日期:2017-01-01 00:00:00
abstract:Introduction:The omega-3 polyunsaturated fatty acids, as docosahexaenoic acid (DHA), are considered mediators regulating the resolution of inflammation during cancer and may be associated with better outcomes. Epoxydocosapentaenoic acids (EDPs), metabolites of the DHA, are hypothesized to be responsible for some benefi...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2019/1280987
更新日期:2019-03-05 00:00:00
abstract::Mitochondrial dysfunctions caused by oxidative stress are currently regarded as the main cause of aging. Accumulation of mutations and deletions of mtDNA is a hallmark of aging. So far, however, there is no evidence that most studied oxygen radicals are directly responsible for mutations of mtDNA. Oxidative damages to...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章,评审
doi:10.1155/2020/1323028
更新日期:2020-09-08 00:00:00
abstract::Cellular senescence is a state of irreversible cell cycle arrest in response to an array of cellular stresses. An important role for senescence has been shown for a number of pathophysiological conditions that include cardiovascular disease, pulmonary fibrosis, and diseases of the skin. However, whether senescence con...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章,评审
doi:10.1155/2020/2583601
更新日期:2020-03-09 00:00:00
abstract::Hypoxic-ischemic encephalopathy (HIE) is detrimental to newborns and is associated with high mortality and poor prognosis. Thus, the primary aim of the present study was to determine whether glycine could (1) attenuate HIE injury in rats and hypoxic stress in PC12 cells and (2) downregulate mitochondria-mediated autop...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2019/4248529
更新日期:2019-02-06 00:00:00
abstract:Background:Mitochondrial dynamics (mtDYN) has been proposed as a bridge between mitochondrial dysfunction and insulin resistance (IR), which is involved in the pathogenesis of type 2 diabetes (T2D). Our previous study has identified that mitochondrial DNA (mtDNA) haplogroup B4 is a T2D-susceptible genotype. Using trans...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2018/7514383
更新日期:2018-09-30 00:00:00
abstract::At present, little research has been done on the metabolic phenotype of the differentiation of mesenchymal stem cells (MSCs) into osteoblasts. In this study, the effect of astaxanthin on improving osteogenic differentiation potential of mesenchymal stem cells was studied by metabolomics. Results showed that L-methioni...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2020/3427430
更新日期:2020-03-25 00:00:00
abstract::In plasma medicine, cold physical plasma delivers a delicate mixture of reactive components to cells and tissues. Recent studies suggested a beneficial role of cold plasma in wound healing. Yet, the biological processes related to the redox modulation via plasma are not fully understood. We here used the monocytic cel...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2016/5910695
更新日期:2016-01-01 00:00:00
abstract:UNLABELLED:Background. Duguetia furfuracea is popular plant used in popular medicine. Hypothesis/Purpose. This claim evaluated the phytochemical composition of the hydroethanolic extract (HEDF), fractions of Duguetia furfuracea, and antioxidant and antifungal activity. Methods. The chemical profile was carried out by H...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2016/7821051
更新日期:2016-01-01 00:00:00
abstract::Objectives. Oxidative stress contributes to Parkinson's disease (PD) pathophysiology and progression. The objective was to describe central and peripheral metabolites of redox metabolism and to describe correlations between glutathione (Glu) status, age, and disease severity. Methods. 58 otherwise healthy individuals ...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2016/9409363
更新日期:2016-01-01 00:00:00
abstract::Contrast-induced acute kidney injury (CI-AKI) is a serious complication in patients after administration of iodinated contrast media. Proper animal models of CI-AKI can help understand the mechanisms involved and prevent the disorder. We used the 5/6-nephrectomized (NE) rat to develop a CI-AKI model and to evaluate di...
journal_title:Oxidative medicine and cellular longevity
pub_type: 杂志文章
doi:10.1155/2014/427560
更新日期:2014-01-01 00:00:00