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Non-Classical Binding Mechanisms of Ferrocene-Modified Imatinib and Nilotinib Analogues in BCR-ABL1 Kinase Revealed by Computational Analysis.

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Title: Non-Classical Binding Mechanisms of Ferrocene-Modified Imatinib and Nilotinib Analogues in BCR-ABL1 Kinase Revealed by Computational Analysis.
Authors: Angelova R; Chemistry Department, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria.; Department of Pharmacology, Pharmacotherapy and Toxicology, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria., Stavrakov G; Chemistry Department, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria.; Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str. 9, 1113 Sofia, Bulgaria.; Centre of Excellence in Informatics and Information and Communication Technologies, Bulgarian Academy of Sciences, Akad. Georgi Bonchev Str., Block 2 and 25A, 1113 Sofia, Bulgaria., Spassov DS; Chemistry Department, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria.; Centre of Excellence in Informatics and Information and Communication Technologies, Bulgarian Academy of Sciences, Akad. Georgi Bonchev Str., Block 2 and 25A, 1113 Sofia, Bulgaria., Momekov G; Department of Pharmacology, Pharmacotherapy and Toxicology, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria., Atanasova M; Chemistry Department, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria.; Centre of Excellence in Informatics and Information and Communication Technologies, Bulgarian Academy of Sciences, Akad. Georgi Bonchev Str., Block 2 and 25A, 1113 Sofia, Bulgaria.
Source: Molecules (Basel, Switzerland) [Molecules] 2026 Jun 18; Vol. 31 (12). Date of Electronic Publication: 2026 Jun 18.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Database: MEDLINE Ultimate
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