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An in-silico study of tacrine derivatives potency against Alzheimer: An exploratory study using 3D-QSAR, ADME-Toxicity predictions, molecular docking and molecular dynamics investigations - Couverture souple
Synopsis
Tacrine was originally used as a palliative treatment for Alzheimer's disease (AD). But early applications soon revealed a number of its side effects on human health. That's why we decided to examine the effectiveness of novel tacrine derivatives known for their potent inhibition of GluN2B-NMDA receptors, to discover the leading candidates for treating AD in terms of safety and molecular stability towards NMDA receptors. As a result, CoMFA and CoMSIA models were generated using 3D-QSAR study, indicating that Electrostatic, Hydrophobic, and Steric fields have a vital function in the NMDAR-antagonizing activities. The pharmacokinetics properties of in-silico ADME-Toxicity confirm the safety of C24 and C27 compounds, which were discovered to be free from any skin allergy toxicity and hepatotoxic effects, and would be able to passively break through the blood-brain barrier and ultimately penetrate the central nervous system with a good level of absorption. Both non-toxic inhibitors interact specifically with the main active sites of NMDA receptor (5EWJ.pdb), with an excellent level of molecular stability during 100 ns of molecular dynamics simulation time.
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An in-silico study of tacrine derivatives potency against Alzheimer
Edité par
LAP Lambert Academic Publishing, 2024
ISBN 10 : 6207639049
ISBN 13 : 9786207639045
Neuf
Taschenbuch
Vendeur : BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Tacrine was originally used as a palliative treatment for Alzheimer's disease (AD). But early applications soon revealed a number of its side effects on human health. That's why we decided to examine the effectiveness of novel tacrine derivatives known for their potent inhibition of GluN2B-NMDA receptors, to discover the leading candidates for treating AD in terms of safety and molecular stability towards NMDA receptors. As a result, CoMFA and CoMSIA models were generated using 3D-QSAR study, indicating that Electrostatic, Hydrophobic, and Steric fields have a vital function in the NMDAR-antagonizing activities. The pharmacokinetics properties of in-silico ADME-Toxicity confirm the safety of C24 and C27 compounds, which were discovered to be free from any skin allergy toxicity and hepatotoxic effects, and would be able to passively break through the blood-brain barrier and ultimately penetrate the central nervous system with a good level of absorption. Both non-toxic inhibitors interact specifically with the main active sites of NMDA receptor (5EWJ.pdb), with an excellent level of molecular stability during 100 ns of molecular dynamics simulation time. 56 pp. Englisch. N° de réf. du vendeur 9786207639045
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An in-silico study of tacrine derivatives potency against Alzheimer : An exploratory study using 3D-QSAR, ADME-Toxicity predictions, molecular docking and molecular dynamics investigations
Edité par
LAP LAMBERT Academic Publishing, 2024
ISBN 10 : 6207639049
ISBN 13 : 9786207639045
Neuf
Taschenbuch
Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Tacrine was originally used as a palliative treatment for Alzheimer's disease (AD). But early applications soon revealed a number of its side effects on human health. That's why we decided to examine the effectiveness of novel tacrine derivatives known for their potent inhibition of GluN2B-NMDA receptors, to discover the leading candidates for treating AD in terms of safety and molecular stability towards NMDA receptors. As a result, CoMFA and CoMSIA models were generated using 3D-QSAR study, indicating that Electrostatic, Hydrophobic, and Steric fields have a vital function in the NMDAR-antagonizing activities. The pharmacokinetics properties of in-silico ADME-Toxicity confirm the safety of C24 and C27 compounds, which were discovered to be free from any skin allergy toxicity and hepatotoxic effects, and would be able to passively break through the blood-brain barrier and ultimately penetrate the central nervous system with a good level of absorption. Both non-toxic inhibitors interact specifically with the main active sites of NMDA receptor (5EWJ.pdb), with an excellent level of molecular stability during 100 ns of molecular dynamics simulation time. N° de réf. du vendeur 9786207639045
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An in-silico study of tacrine derivatives potency against Alzheimer
Edité par
LAP Lambert Academic Publishing, 2024
ISBN 10 : 6207639049
ISBN 13 : 9786207639045
Neuf
Couverture souple
Vendeur : moluna, Greven, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Tacrine was originally used as a palliative treatment for Alzheimer s disease (AD). But early applications soon revealed a number of its side effects on human health. That s why we decided to examine the effectiveness of novel tacrine derivatives known for . N° de réf. du vendeur 1661315462
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An in-silico study of tacrine derivatives potency against Alzheimer
Edité par
LAP LAMBERT Academic Publishing Mai 2024, 2024
ISBN 10 : 6207639049
ISBN 13 : 9786207639045
Neuf
Taschenbuch
Vendeur : buchversandmimpf2000, Emtmannsberg, BAYE, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -Tacrine was originally used as a palliative treatment for Alzheimer's disease (AD). But early applications soon revealed a number of its side effects on human health. That's why we decided to examine the effectiveness of novel tacrine derivatives known for their potent inhibition of GluN2B-NMDA receptors, to discover the leading candidates for treating AD in terms of safety and molecular stability towards NMDA receptors. As a result, CoMFA and CoMSIA models were generated using 3D-QSAR study, indicating that Electrostatic, Hydrophobic, and Steric fields have a vital function in the NMDAR-antagonizing activities. The pharmacokinetics properties of in-silico ADME-Toxicity confirm the safety of C24 and C27 compounds, which were discovered to be free from any skin allergy toxicity and hepatotoxic effects, and would be able to passively break through the blood-brain barrier and ultimately penetrate the central nervous system with a good level of absorption. Both non-toxic inhibitors interact specifically with the main active sites of NMDA receptor (5EWJ.pdb), with an excellent level of molecular stability during 100 ns of molecular dynamics simulation time.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 56 pp. Englisch. N° de réf. du vendeur 9786207639045
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An in-silico study of tacrine derivatives potency against Alzheimer | An exploratory study using 3D-QSAR, ADME-Toxicity predictions, molecular docking and molecular dynamics investigations
Edité par
LAP LAMBERT Academic Publishing, 2024
ISBN 10 : 6207639049
ISBN 13 : 9786207639045
Neuf
Taschenbuch
Vendeur : preigu, Osnabrück, Allemagne
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Taschenbuch. Etat : Neu. An in-silico study of tacrine derivatives potency against Alzheimer | An exploratory study using 3D-QSAR, ADME-Toxicity predictions, molecular docking and molecular dynamics investigations | Mohamed El Fadili (u. a.) | Taschenbuch | Englisch | 2024 | LAP LAMBERT Academic Publishing | EAN 9786207639045 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu. N° de réf. du vendeur 129220447
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