Computational Approaches for the Design of Novel Anticancer Compounds Based on Pyrazolo[3,4-d]pyrimidine Derivatives as TRAP1 Inhibitor

In the present in-silico study, various computational techniques were applied to determine potent compounds against TRAP1 kinase. The pharmacophore hypothesis DHHRR_1 consists of important features required for activity. The 3D QSAR study showed a statistically significant model with R(2) = 0.96 and...

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Detalles Bibliográficos
Autores principales: Ali, Amena, Abdellattif, Magda H., Ali, Abuzer, AbuAli, Ola, Shahbaaz, Mohd, Ahsan, Mohamed Jawed, Hussien, Mostafa A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512242/
https://www.ncbi.nlm.nih.gov/pubmed/34641473
http://dx.doi.org/10.3390/molecules26195932

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512242/
https://www.ncbi.nlm.nih.gov/pubmed/34641473
http://dx.doi.org/10.3390/molecules26195932

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