Combined Conceptual-DFT, Quantitative MEP Analysis, and Molecular Docking Study of Benzodiazepine Analogs

<p>In the present work, a combined approach based on conceptual-DFT formalism and molecular docking simulations were performed to investigate the chemical reactivity of six Benzodiazepine analogs. Chemical reactivity descriptors derived from the conceptual DFT were determined and discussed to explai...

Täydet tiedot

Bibliografiset tiedot

Päätekijät:	Rachida Djebaili, Nadjib Melkemi, Samir Kenouche, Ismail Daoud, Mohammed Bouachrine, Halima Hazhazi, Toufik Salah
Aineistotyyppi:	Artigo
Kieli:	Inglês
Julkaistu:	Universidade Federal de Mato Grosso do Sul 2021-10-01
Sarja:	Orbital: The Electronic Journal of Chemistry
Aiheet:	benzodiazepine dual descriptor quantitative mepanalysis binding site, gabaa, molecular docking
Linkit:	http://orbital.ufms.br/index.php/Chemistry/article/view/1607
Tagit:	Lisää tagi Ei tageja, Lisää ensimmäinen tagi!