Data-driven discovery of chemical signatures for developing new inhibitors against human influenza viruses

Data-driven discovery of chemical signatures for developing new inhibitors against human influenza viruses

Abstract This study presents cheminformatics analysis of the antiviral chemical space targeting human influenza A and B viruses. By curating 407,366 small molecules from ChEMBL and PubChem, we evaluated physicochemical properties, structural motifs, and activity trends across phenotypic and target-b...

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Bibliographic Details
Main Authors: Levon Kharatyan, Smbat Gevorgyan, Hamlet Khachatryan, Anastasiya Shavina, Astghik Hakobyan, Mher Matevosyan, Hovakim Zakaryan
Format: Article
Language:English
Published: BMC 2025-06-01
Series:BMC Chemistry
Subjects:
Cheminformatics
Antiviral agents
Influenza
Neuraminidase inhibitor
Multi-target
Molecular docking
Online Access:https://doi.org/10.1186/s13065-025-01540-z
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