Unveiling HDAC8 antagonists for breast cancer therapy via molecular modeling
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26220%2F25%3APU152639" target="_blank" >RIV/00216305:26220/25:PU152639 - isvavai.cz</a>
Result on the web
<a href="https://ieeexplore.ieee.org/document/10822550" target="_blank" >https://ieeexplore.ieee.org/document/10822550</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1109/BIBM62325.2024.10822550" target="_blank" >10.1109/BIBM62325.2024.10822550</a>
Alternative languages
Result language
angličtina
Original language name
Unveiling HDAC8 antagonists for breast cancer therapy via molecular modeling
Original language description
Histone deacetylases (HDACs) are epigenetic enzymes that are crucial in tumor formation and are potential therapeutic targets for breast cancer treatment. HDACs catalyze the deacetylation of histone and nonhistone proteins. HDAC8 belongs to class I and is reported to be overexpressed in breast cancer initiation and its progression. HDAC8 interacts with the estrogen receptor (ER) and leads to transcriptional inactivation, thus formation of breast cancer. The present in-silico study involves molecular modeling approaches such as virtual screening, molecular docking, molecular dynamic simulations, free binding energy, and essential dynamic analysis to find HDAC8 antagonists for breast cancer treatment. The study unveils top three virtual hits as potential lead compounds for breast cancer therapy.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
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OECD FORD branch
10620 - Other biological topics
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)
ISBN
979-8-3503-8622-6
ISSN
2156-1133
e-ISSN
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Number of pages
4
Pages from-to
852-855
Publisher name
IEEE
Place of publication
Lisbon, Portugal
Event location
Lisbon
Event date
Dec 3, 2024
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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