Combined pharmacophore, virtual screening and molecular dynamics studies to identify Bruton’s tyrosine kinase inhibitors
Author:
Affiliation:
1. School of Bioengineering, Department of Genetic Engineering, SRM University, Kattankulathur 603203, Tamilnadu, India
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2017.1415821
Reference44 articles.
1. ACD/Structure Elucidator. (2016). Toronto: Advanced Chemistry Development. Retrieved from www.acdlabs.com
2. Identification of novel tyrosine kinase inhibitors for drug resistant T315I mutant BCR-ABL: a virtual screening and molecular dynamics simulations study
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4. Molecular dynamics with coupling to an external bath
5. 2,4-Dihydropyrano[2,3-c]pyrazole: Discovery of new lead as through pharmacophore modelling, atom-based 3D-QSAR, virtual screening and docking strategies for improved anti-HIV-1 chemotherapy
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