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Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach.

ABSTRACT: Skin ageing results from enhanced activation of intracellular enzymes such as collagenases, elastases and tyrosinase, stimulated by intrinsic ageing and photoageing factors. Recently, caffeine-based cosmetics are introduced that demonstrates to slow down skin photoageing process. However, no attempts have been done so for to understand caffeine functional inhibitory activity against photoageing related enzymes. Hence, this study established the caffeine molecular interaction and inhibition activity profiles against respective enzymes using in silico and in vitro methods, respectively. Results from in silico study indicates that caffeine has comparatively good affinity with collagenase (-4.6?kcal/mol), elastase (-3.36?kcal/mol) and tyrosinase (-2.86?kcal/mol) and formed the stable protein-ligand complex as validated by molecular dynamics simulation (protein-ligand contacts, RMSD, RMSF and secondary structure changes analysis). Moreover, in vitro data showed that caffeine (1000?µg/mL) has statistically significant maximum inhibition activity of 41.86, 36.44 and 13.72% for collagenase, elastase and tyrosinase, respectively.

SUBMITTER: Eun Lee K

PROVIDER: S-EPMC6493221 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach.

Eun Lee Kyung K Bharadwaj Shiv S Yadava Umesh U Gu Kang Sang S

Journal of enzyme inhibition and medicinal chemistry 20191201 1

Skin ageing results from enhanced activation of intracellular enzymes such as collagenases, elastases and tyrosinase, stimulated by intrinsic ageing and photoageing factors. Recently, caffeine-based cosmetics are introduced that demonstrates to slow down skin photoageing process. However, no attempts have been done so for to understand caffeine functional inhibitory activity against photoageing related enzymes. Hence, this study established the caffeine molecular interaction and inhibition activ ...[more]

PMID: 31039625

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Project description:This article describes the inhibitory effects of extracts from 25 plants harvested in Sri Lanka against tyrosinase and collagenase. Inhibitors of these enzymes are common ingredients in cosmetics and medications, which help protect the skin against hyperpigmentation and premature aging. The article also discusses the polyphenol content of the extracts, which is well known to possess antioxidant properties. The extract data from the following plants, which have a long history in Sri Lankan traditional medicine, such as Ayurveda, have been provided: English name, "local name in Sri Lanka," (scientific name). Indian copperleaf plant, "kuppameniya," (Acalypha indica); red sandalwood, "madatiya", (Adenanthera pavonina); balipoovu plant, "polpala," (Aerva lanata); snap ginger, "heen araththa," (Alpinia calcarata); bael fruit, "beli," (Aegle marmelos); coastal waterhyssop, "lunuwila," (Bacopa monnieri); porcupine flower, "katu karandu," (Barleria prionitis); balloon-vine plant, "wel penera," (Cardiospermum halicacabum); water caltrop, "Katupila," (Flueggea leucopyrus); Indian sarsparilla, "iramusu," (Hemidesmus indicus); malabar nut plant, "adhatoda," (Justicia adhatoda); wood apple, "divul," (Limonia acidissima); holy basil plant, "maduruthala," (Ocimum tenuiflorum); emblic myrobalan plant, "nelli," (Phyllanthus emblica); long pepper plant,"thippili," (Piper longum); country borage plant, "kapparawalliya," (Plectranthus amboinicus); common sesban, "wel murunga," (Sesbania sesban); turkey berry, "gona batu," (Solanum rudepannum Dunal); purple fruited pea eggplant,"welthibbatu," (Solanum trilobatum); black plum, "madan," (Syzygium cumini); crape jasmine, "wathusudda," (Tabernaemontana divaricate); purple tephrosia, "pila," (Tephrosia purpurea); Chinese chaste tree, "nika," (Vitex negundo); and arctic snow, "suduidda," (Wrightia antidysenterica). The inhibitory effects of these plant extracts on tyrosinase and collagenase, as well as polyphenol contents in the extracts, are detailed in Table 1.

Project description:BackgroundOwing to their roles in tissue remodelling in health and disease, several studies have reported investigations on plant extracts as inhibitors of proteinases and as anti-oxidants.MethodsThe anti-ageing and anti-oxidant properties of 23 plant extracts (from 21 plant species) were assessed as anti-elastase and anti-collagenase activities and in selected anti-oxidant assays along with phenolic content.ResultsAnti-elastase activities were observed for nine of the extracts with inhibitory activity in the following order: white tea (approximately 89%), cleavers (approximately 58%), burdock root (approximately 51%), bladderwrack (approximately 50%), anise and angelica (approximately 32%). Anti-collagenase activities were exhibited by sixteen plants of which the highest activity was seen in white tea (approximately 87%), green tea (approximately 47%), rose tincture (approximately 41%), and lavender (approximately 31%). Nine plant extracts had activities against both elastase (E) and collagenase (C) and were ranked in the order of white tea (E:89%, C:87%) > bladderwrack (E:50%, C:25%) > cleavers (E:58%, C:7%) > rose tincture (E:22%, C:41%) > green tea (E:10%: C:47%) > rose aqueous (E: 24%, C:26%) > angelica (E:32%, C:17%) > anise (E:32%, C:6%) > pomegranate (E:15%, C:11%).Total phenolic content varied between 0.05 and 0.26 mg gallic acid equivalents (GAE)/mL with the exception of white tea (0.77 mg GAE/mL). For anti-oxidant assessment, the Trolox equivalent anti-oxidant capacity (TEAC) assay revealed activity for all extracts. White tea had the highest activity equivalent to approximately 21 microM Trolox for a 6.25 microg aliquot. In addition, seven extracts exhibited activities = 10 microM Trolox with witch hazel (6.25 microg = 13 microM Trolox) and rose aqueous (6.25 microg = 10 microM Trolox) showing very high activities at low concentrations. A high activity for white tea was also found in the superoxide dismutase (SOD) assay in which it exhibited ~88% inhibition of reduction of nitroblue tetrazolium. High activities were also observed for green tea (86.41%), rose tincture (82.77%), witch hazel (82.05%) and rose aqueous (73.86%).ConclusionFrom a panel of twenty three plant extracts, some one dozen exhibit high or satisfactory anti-collagenase or anti-elastase activities, with nine having inhibitory activity against both enzymes. These included white tea which was found to have very high phenolic content, along with high TEAC and SOD activities.

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Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach.

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Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach.

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