The Experts below are selected from a list of 6 Experts worldwide ranked by ideXlab platform
Menon Lakshmi - One of the best experts on this subject based on the ideXlab platform.
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IN SILICO EVALUATION OF INHIBITORY POTENTIAL OF SOME COMMERCIALLY AVAILABLE FLAVONOIDS AGAINST BETA- SECRETASE IN THE MANAGEMENT OF ALZHIEMER’S DISEASE
2019Co-Authors: Madeswaran Arumugam, Ravi Nivetha, Mohan Bhargav, Menon LakshmiAbstract:In a continuing effort to develop multitargeted compounds as potential treatment agents against Alzheimer's disease (AD), a certain commercially available flavonoids were evaluated against crystal structure of beta-secretase enzyme using in silico docking studies. In this perspective, flavonoids like apigenin, galangin, Gallocatechol, genistein, luteolin, myricetin, and theaflavin were selected. AutoDock 4.2 software was used for the in-silico docking studies which possess the principle of Lamarckian genetic algorithm. In the docking evaluation parameters, binding energy, inhibition constant and intermolecular energy were considered as vital parameters of the ligand against the target. The above-mentioned flavonoids were exhibited binding energy values between -8.69 kcal/mol and -5.01 kcal/mol and inhibition constant values were 427.78 nM to 211.74 µM. Inhibition constant values were coincided with the binding energy. The intermolecular energy of the selected flavonoids was in the range of -9.88 kcal/mol to -6.21 kcal/mol. In the selected flavonoids, galangin showed excellent binding interactions against beta-secretase enzyme because of its structural properties. These molecular docking analyses could lead to the further development of galangin as a potent beta-secretase inhibitor in the management of Alzheimer’s disease. Keywords: Flavonoids, beta-secretase, binding energy, inhibition constant, intermolecular energy Cite this Article Arumugam Madeswaran, Ravi Nivetha, Mohan Bhargav, Menon Lakshmi. In Silico Evaluation of Inhibitory Potential of Some Commercially Available Flavonoids against Beta-Secretase in the Management of Alzhiemer’s Disease. Research & Reviews: A Journal of Drug Design & Discovery . 2019; 6(2): 30–35p.
Madeswaran Arumugam - One of the best experts on this subject based on the ideXlab platform.
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IN SILICO EVALUATION OF INHIBITORY POTENTIAL OF SOME COMMERCIALLY AVAILABLE FLAVONOIDS AGAINST BETA- SECRETASE IN THE MANAGEMENT OF ALZHIEMER’S DISEASE
2019Co-Authors: Madeswaran Arumugam, Ravi Nivetha, Mohan Bhargav, Menon LakshmiAbstract:In a continuing effort to develop multitargeted compounds as potential treatment agents against Alzheimer's disease (AD), a certain commercially available flavonoids were evaluated against crystal structure of beta-secretase enzyme using in silico docking studies. In this perspective, flavonoids like apigenin, galangin, Gallocatechol, genistein, luteolin, myricetin, and theaflavin were selected. AutoDock 4.2 software was used for the in-silico docking studies which possess the principle of Lamarckian genetic algorithm. In the docking evaluation parameters, binding energy, inhibition constant and intermolecular energy were considered as vital parameters of the ligand against the target. The above-mentioned flavonoids were exhibited binding energy values between -8.69 kcal/mol and -5.01 kcal/mol and inhibition constant values were 427.78 nM to 211.74 µM. Inhibition constant values were coincided with the binding energy. The intermolecular energy of the selected flavonoids was in the range of -9.88 kcal/mol to -6.21 kcal/mol. In the selected flavonoids, galangin showed excellent binding interactions against beta-secretase enzyme because of its structural properties. These molecular docking analyses could lead to the further development of galangin as a potent beta-secretase inhibitor in the management of Alzheimer’s disease. Keywords: Flavonoids, beta-secretase, binding energy, inhibition constant, intermolecular energy Cite this Article Arumugam Madeswaran, Ravi Nivetha, Mohan Bhargav, Menon Lakshmi. In Silico Evaluation of Inhibitory Potential of Some Commercially Available Flavonoids against Beta-Secretase in the Management of Alzhiemer’s Disease. Research & Reviews: A Journal of Drug Design & Discovery . 2019; 6(2): 30–35p.
Ravi Nivetha - One of the best experts on this subject based on the ideXlab platform.
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IN SILICO EVALUATION OF INHIBITORY POTENTIAL OF SOME COMMERCIALLY AVAILABLE FLAVONOIDS AGAINST BETA- SECRETASE IN THE MANAGEMENT OF ALZHIEMER’S DISEASE
2019Co-Authors: Madeswaran Arumugam, Ravi Nivetha, Mohan Bhargav, Menon LakshmiAbstract:In a continuing effort to develop multitargeted compounds as potential treatment agents against Alzheimer's disease (AD), a certain commercially available flavonoids were evaluated against crystal structure of beta-secretase enzyme using in silico docking studies. In this perspective, flavonoids like apigenin, galangin, Gallocatechol, genistein, luteolin, myricetin, and theaflavin were selected. AutoDock 4.2 software was used for the in-silico docking studies which possess the principle of Lamarckian genetic algorithm. In the docking evaluation parameters, binding energy, inhibition constant and intermolecular energy were considered as vital parameters of the ligand against the target. The above-mentioned flavonoids were exhibited binding energy values between -8.69 kcal/mol and -5.01 kcal/mol and inhibition constant values were 427.78 nM to 211.74 µM. Inhibition constant values were coincided with the binding energy. The intermolecular energy of the selected flavonoids was in the range of -9.88 kcal/mol to -6.21 kcal/mol. In the selected flavonoids, galangin showed excellent binding interactions against beta-secretase enzyme because of its structural properties. These molecular docking analyses could lead to the further development of galangin as a potent beta-secretase inhibitor in the management of Alzheimer’s disease. Keywords: Flavonoids, beta-secretase, binding energy, inhibition constant, intermolecular energy Cite this Article Arumugam Madeswaran, Ravi Nivetha, Mohan Bhargav, Menon Lakshmi. In Silico Evaluation of Inhibitory Potential of Some Commercially Available Flavonoids against Beta-Secretase in the Management of Alzhiemer’s Disease. Research & Reviews: A Journal of Drug Design & Discovery . 2019; 6(2): 30–35p.
Mohan Bhargav - One of the best experts on this subject based on the ideXlab platform.
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IN SILICO EVALUATION OF INHIBITORY POTENTIAL OF SOME COMMERCIALLY AVAILABLE FLAVONOIDS AGAINST BETA- SECRETASE IN THE MANAGEMENT OF ALZHIEMER’S DISEASE
2019Co-Authors: Madeswaran Arumugam, Ravi Nivetha, Mohan Bhargav, Menon LakshmiAbstract:In a continuing effort to develop multitargeted compounds as potential treatment agents against Alzheimer's disease (AD), a certain commercially available flavonoids were evaluated against crystal structure of beta-secretase enzyme using in silico docking studies. In this perspective, flavonoids like apigenin, galangin, Gallocatechol, genistein, luteolin, myricetin, and theaflavin were selected. AutoDock 4.2 software was used for the in-silico docking studies which possess the principle of Lamarckian genetic algorithm. In the docking evaluation parameters, binding energy, inhibition constant and intermolecular energy were considered as vital parameters of the ligand against the target. The above-mentioned flavonoids were exhibited binding energy values between -8.69 kcal/mol and -5.01 kcal/mol and inhibition constant values were 427.78 nM to 211.74 µM. Inhibition constant values were coincided with the binding energy. The intermolecular energy of the selected flavonoids was in the range of -9.88 kcal/mol to -6.21 kcal/mol. In the selected flavonoids, galangin showed excellent binding interactions against beta-secretase enzyme because of its structural properties. These molecular docking analyses could lead to the further development of galangin as a potent beta-secretase inhibitor in the management of Alzheimer’s disease. Keywords: Flavonoids, beta-secretase, binding energy, inhibition constant, intermolecular energy Cite this Article Arumugam Madeswaran, Ravi Nivetha, Mohan Bhargav, Menon Lakshmi. In Silico Evaluation of Inhibitory Potential of Some Commercially Available Flavonoids against Beta-Secretase in the Management of Alzhiemer’s Disease. Research & Reviews: A Journal of Drug Design & Discovery . 2019; 6(2): 30–35p.
N. V. De Gaulejac - One of the best experts on this subject based on the ideXlab platform.
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Structural characterization and analytical differentiation of grape seeds, skins, stems and Quebracho tannins
2020Co-Authors: Marie-françoise Nonier, Nicolas Vivas, N. V. De GaulejacAbstract:Pour controler et identifier de facon fiable les principaux tanins oenologiques, nous avons concu une methode specifique reposant sur la caracterisation de la composition des proanthocyanidols. Nous avons commence par controler la coloration rouge produite par la butanolyse a l'acide chlorhydrique (ex: Reaction de Bate-Smith), due a la formation d'anthocyanidines, caracteristique des tanins de proanthocyanidols. Par thioacidolyse/chromatographie en phase liquide/ionisation par electrospray (ESI), nous avons pu identifier: (i) la nature des flavan-3-ols (catechol, epicatechol pour des tanins de procyanidols; Gallocatechol, epiGallocatechol pour les tanins de prodelphinidols), (il) le niveau de galloylation, (iii) le degre moyen de polymerisation (DPm). Nous avons egalement realise une etude structurale complete par spectrometrie de masse de type MALDITOF. En comparant les profils chromatographiques des proanthocyanidols standard prepares dans notre laboratoire avec ceux d'une variete de tanins oenologiques du commerce, nous avons pu identifier leur origine: proanthocyanidols de pepin (PA): procyanidols uniquement, niveau eleve de galloylation, avec une grande quantite d'epicatechol et un faible DPm correspondant a la majorite des tanins oligomeriques; PA de pellicules: un melange de procyanidols et de prodelphinidols, avec une predominance des procyanidols, un faible niveau de galloylation, une grande quantite d'epicatechine et un DPm tres variable; PA de rafles, melange de procyanidols et prodelphinidols, faible galloylation, tres faible niveau d'epicatechol dans l'unite terminale, et valeur moyenne pour le DPm (> 5); PA de Quebracho: les resultats ne montrent aucun flavan-3-ol connu et, selon le MALDI-TOF, la structure principale est attribuee a une grande quantite de profisetinidine correspondant au proanthocyanidol de resorcinol.
