2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method

Quantitative Structure Activity Relationship (QSAR) analysis techniques are tools largely utilized in many research fields, including drug discovery processes. In this work electronic descriptors are calculated with the Gaussian 03W software using the DFT method with the BecKe 3-parameters exchange...

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Detalles Bibliográficos
Autores principales: Kasmi, Rania, Hadaji, Elghalia, Chedadi, Oussama, El Aissouq, Abdellah, Bouachrine, Mohammed, Ouammou, Abdelkrim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7424200/
https://www.ncbi.nlm.nih.gov/pubmed/32817887
http://dx.doi.org/10.1016/j.heliyon.2020.e04514

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7424200/
https://www.ncbi.nlm.nih.gov/pubmed/32817887
http://dx.doi.org/10.1016/j.heliyon.2020.e04514

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