3D- and 2D-QSAR models’ study and molecular docking of novel nitrogen-mustard compounds for osteosarcoma

Background: The dipeptide-alkylated nitrogen-mustard compound is a new kind of nitrogen-mustard derivative with a strong anti-tumor activity, which can be used as a potential anti-osteosarcoma chemotherapy drug.Objective: 2D- and 3D-QSAR (structure–activity relationship quantification) models were e...

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Bibliographic Details
Main Authors: Wenkun Zhuo, Zheng Lian, Wenzhe Bai, Yanrong Chen, Huanling Xia
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-03-01
Series:Frontiers in Molecular Biosciences
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2023.1164349/full