Title : An integrated computational approach to screening of alkaloids inhibitors of TBX3 in breast cancer cell lines.

Pub. Date : 2022 Mar 5

PMID : 35253621






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1 An integrated computational approach to screening of alkaloids inhibitors of TBX3 in breast cancer cell lines. Alkaloids T-box transcription factor 3 Homo sapiens
2 The molecular mechanics-generalized born surface area (MM-GBSA) and molecular dynamics (MD) simulation showed that Jervine along with Diflomotecan formed the stable complexes with TBX3 which makes it obvious that these two alkaloids can be introduced into the drug development pipeline and used as a new leader to develop new effective drugs against breast cancer.Communicated by Ramaswamy H. Sarma. Alkaloids T-box transcription factor 3 Homo sapiens