Cargando…
Molecular Quantum Similarity, Chemical Reactivity and Database Screening of 3D Pharmacophores of the Protein Kinases A, B and G from Mycobacterium tuberculosis
Mycobacterium tuberculosis remains one of the world’s most devastating pathogens. For this reason, we developed a study involving 3D pharmacophore searching, selectivity analysis and database screening for a series of anti-tuberculosis compounds, associated with the protein kinases A, B, and G. This...
Autor principal: | Morales-Bayuelo, Alejandro |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152632/ https://www.ncbi.nlm.nih.gov/pubmed/28635627 http://dx.doi.org/10.3390/molecules22061027 |
Ejemplares similares
-
Virtual Screening, pharmacophore development and structure based similarity search to identify inhibitors against IdeR, a transcription factor of Mycobacterium tuberculosis
por: Rohilla, Akshay, et al.
Publicado: (2017) -
Pharmacophore-Based Similarity Scoring for DOCK
por: Jiang, Lingling, et al.
Publicado: (2014) -
Quantum mechanics and 3D-QSAR studies on thienopyridine analogues: inhibitors of IKKβ
por: Ul-Haq, Zaheer, et al.
Publicado: (2020) -
ZINCPharmer: pharmacophore search of the ZINC database
por: Koes, David Ryan, et al.
Publicado: (2012) -
Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery
por: Ekins, Sean, et al.
Publicado: (2015)