Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation

Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation

Abstract This study is committed to searching for inhibitors of deacetylase SIRT2 within the natural product database via computer-aided drug design techniques. A comprehensive computer-aided drug design platform has been successfully established by integrating various techniques such as drug-likene...

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Bibliographic Details
Main Authors: Tianyi Liu, Hongli Yin, Xue Dong, Qingyang Hu, Xuejiao Hu, Wenxin Yan, Huanhuan Wang, Zhong Li
Format: Article
Language:English
Published: Universidade de São Paulo 2025-01-01
Series:Brazilian Journal of Pharmaceutical Sciences
Subjects:
SIRT2
Neuroblastoma
Computer-aided drug design
Molecular dynamics simulation
Molecular docking
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502025000100328&lng=en&tlng=en
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