Design of new reversible and selective inhibitors of monoamine oxidase A and a comparison with drugs already approved

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DC Field	Value	Language
dc.contributor.author	Reyes-Chaparro, A.	vi
dc.contributor.other	Lopez, N. S. Flores-	vi
dc.contributor.other	Guerrero, F. Quintanilla-	vi
dc.contributor.other	Nicolás-Álvarez, Dulce Estefanía	vi
dc.contributor.other	Hernandez-Martinez, A. R.	vi
dc.date.accessioned	2023-04-04T01:43:19Z	-
dc.date.available	2023-04-04T01:43:19Z	-
dc.date.issued	2023	-
dc.identifier.issn	2522-8307	vi
dc.identifier.uri	http://tailieuso.tlu.edu.vn/handle/DHTL/12909	-
dc.description.abstract	A total of 10,100 chalcone-derived molecules were obtained (Additional files 1, 2, and 3); then different screening techniques were used for physicochemical properties, molecular docking, molecular dynamics, and DFT calculations to select the best candidates. Drugs used as MAO-A inhibitors were evaluated as a reference comparison.	vi
dc.description.uri	https://link.springer.com/article/10.1186/s42269-023-01018-9	vi
dc.language	en_US	vi
dc.relation.ispartofseries	Bulletin of the National Research Centre, Volume 47 (2023), Article number: 46	vi
dc.subject	MAO-A	vi
dc.subject	MAO-B	vi
dc.subject	Inhibitor	vi
dc.subject	Reversible	vi
dc.subject	DFT	vi
dc.subject	Molecular docking	vi
dc.subject	Molecular dynamics	vi
dc.title	Design of new reversible and selective inhibitors of monoamine oxidase A and a comparison with drugs already approved	vi
dc.type	BB	vi
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