Detail publikace
Unveiling HDAC8 antagonists for breast cancer therapy via molecular modeling
Vaishali Pankaj, Inderjeet Bhogal, Sudeep Roy
Originální název
Unveiling HDAC8 antagonists for breast cancer therapy via molecular modeling
Typ
článek ve sborníku ve WoS nebo Scopus
Jazyk
angličtina
Originální abstrakt
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.
Klíčová slova
Histone deacetylases (HDACs), antagonists, breast cancer, molecular docking, simulations, free binding energy
Autoři
Vaishali Pankaj, Inderjeet Bhogal, Sudeep Roy
Vydáno
10. 1. 2025
Nakladatel
IEEE
Místo
Lisbon, Portugal
ISBN
979-8-3503-8622-6
Kniha
2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)
ISSN
2156-1133
Periodikum
IEEE-International Conference on Bioinformatics and Biomedicine (BIBM)
Stát
Spojené státy americké
Strany od
852
Strany do
855
Strany počet
4
URL
BibTex
@inproceedings{BUT191201,
author="Vaishali {Pankaj} and Inderjeet {Bhogal} and Sudeep {Roy}",
title="Unveiling HDAC8 antagonists for breast cancer therapy via molecular modeling",
booktitle="2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)",
year="2025",
journal="IEEE-International Conference on Bioinformatics and Biomedicine (BIBM)",
pages="852--855",
publisher="IEEE",
address="Lisbon, Portugal",
doi="10.1109/BIBM62325.2024.10822550",
isbn="979-8-3503-8622-6",
issn="2156-1133",
url="https://ieeexplore.ieee.org/document/10822550"
}
Odpovědnost: Ing. Marek Strakoš