Integrating molecular modelling methods to advance influenza A virus drug discovery

Patel, H. and Kukol, A. 2021. Integrating molecular modelling methods to advance influenza A virus drug discovery. Drug Discovery Today. 26 (2), pp. 503-510. https://doi.org/10.1016/j.drudis.2020.11.014

TitleIntegrating molecular modelling methods to advance influenza A virus drug discovery
TypeJournal article
AuthorsPatel, H. and Kukol, A.
AbstractSince the discovery of the anti-influenza drugs oseltamivir and zanamivir using computer-aided drug design methods, there have been significant applications of molecular modelling methodologies applied to influenza A virus drug discovery, such as molecular dynamics (MD) simulation, molecular docking, and virtual screening (VS). In this review, we provide a brief general introduction to molecular modelling in the context of drug discovery and then focus on the advances and impact of integrating these methods with specific reference to potential influenza A antiviral drug targets.
JournalDrug Discovery Today
Journal citation26 (2), pp. 503-510
ISSN1878-5832
1359-6446
Year2021
PublisherElsevier
Accepted author manuscript
License
CC BY-NC-ND 4.0
File Access Level
Open (open metadata and files)
Digital Object Identifier (DOI)https://doi.org/10.1016/j.drudis.2020.11.014
PubMed ID33220433
Publication dates
Published onlineFeb 2021

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