Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screening

Molecular descriptor (2D) and three dimensional (3D) shape based similarity methods are widely used in ligand based virtual drug design. In the present study pairwise structure comparisons among a set of 4858 DTP compounds tested in the NCI60 tumor cell line anticancer drug screen were computed usin...

Ful tanımlama

Kaydedildi:
Detaylı Bibliyografya
Yayımlandı:J Cheminform
Asıl Yazarlar: Lovrics, Anna, Pape, Veronika F. S., Szisz, Dániel, Kalászi, Adrián, Heffeter, Petra, Magyar, Csaba, Szakács, Gergely
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Springer International Publishing 2019
Konular:
Research Article
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6842385/
https://ncbi.nlm.nih.gov/pubmed/33430961
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0390-3
Etiketler: Etiketle
Etiket eklenmemiş, İlk siz ekleyin!

Benzer Materyaller