Exploring novel furochochicine derivatives as promising JAK2 inhibitors in HeLa cells: Integrating docking, QSAR-ML, MD simulations, and experiments

Exploring novel furochochicine derivatives as promising JAK2 inhibitors in HeLa cells: Integrating docking, QSAR-ML, MD simulations, and experiments

Cervical cancer, largely driven by high-risk human papillomavirus (HPV), remains a global health challenge. Janus tyrosine kinase 2 (JAK2) has emerged as a promising therapeutic target for HPV-induced malignancies. This study employed both in silico and in vitro approaches to discover novel JAK2 inh...

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Bibliographic Details
Main Authors: Duangjai Todsaporn, Kamonpan Sanachai, Chanat Aonbangkhen, Athina Geronikaki, Victor Kartsev, Boris Lichitsky, Andrey Komogortsev, Phornphimon Maitarad, Thanyada Rungrotmongkol
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
JAK2 inhibitors
Machine learning-based QSAR
Experimental validation
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037025003289
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