Combining structure-based pharmacophore modeling and machine learning for the identification of novel BTK inhibitors

Bruton's tyrosine kinase (BTK) is a critical enzyme which is involved in multiple signaling pathways that regulate cellular survival, activation, and proliferation, making it a major cancer therapeutic target. We applied the novel integrated structure-based pharmacophore modeling, machine learn...

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Veröffentlicht in:	International journal of biological macromolecules 2022-12, Vol.222, p.239-250
Hauptverfasser:	Sharma, Tanuj, Saralamma, Venu Venkatarame Gowda, Lee, Duk Chul, Imran, Mohammad Azhar, Choi, Jaehyuk, Baig, Mohammad Hassan, Dong, Jae-June
Format:	Artikel
Sprache:	eng
Schlagworte:	breasts Bruton's tyrosine kinase cell growth computer simulation enzymes humans inhibitory concentration 50 lung neoplasms Machine learning neoplasm cells pharmacology Pharmacophore therapeutics tyrosine Virtual screening
Online-Zugang:	Volltext
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