Molecular Shape Analysis-Guided Virtual Screening Platform for Adenosine Kinase Inhibitors

We propose a new application of molecular shape descriptors in hierarchical selection during virtual screening (VS). Here, a structure-based pharmacophore and docking-guided VS protocol have been evolved to identify inhibitors against adenosine kinase (AK). The knowledge gained on the shape requirem...

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Detalles Bibliográficos
Autores principales: Bhutoria, Savita, Das, Ballari, Ghoshal, Nanda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Libertas Academica 2016
Materias:
Original Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4954751/
https://www.ncbi.nlm.nih.gov/pubmed/27478367
http://dx.doi.org/10.4137/BBI.S38430

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4954751/
https://www.ncbi.nlm.nih.gov/pubmed/27478367
http://dx.doi.org/10.4137/BBI.S38430

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