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Virtual screening of HER2-targeting drugs

2016
Alagappa University, Karaikudi, India
#bioinformatics, #breast cancer, #cancer therapy, #database, #drug discovery, #drug screening
Using delphinidin as a query parent, this study is based on searching for homologous compounds that have safer pharmacological profiles for HER2 targeting in human breast cancer. After a screening of PubChem database and further validation procedures, a compound was identified with a higher affinity than delphinidin and a better ADMET profile. This study can serve as a starting point for the "in vitro" assessment of this identified HER2-targeting drug.
Virtual screening approaches in identification of bioactive compounds akin to delphinidin as potential HER2 inhibitors for the treatment of breast cancer
Sanjeev Kumar Singh

Kavisha Patidar et al. Asian Pacific Journal of Cancer Prevention 2016 [1]   URL
EURL ECVAM [2]   URL
#765
Added on: 07-30-2021
[1] http://journal.waocp.org/?sid=Entrez:PubMed&id=pmid:27221932&key=2016.17.4.2291[2] https://data.jrc.ec.europa.eu/dataset/ffebe454-ed9a-47cf-8a33-8cf70c1b7d38
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