2022
DOI: 10.3389/fchem.2022.1053675
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Synthesis, biological evaluation, and molecular docking of novel hydroxyzine derivatives as potential AR antagonists

Abstract: Prostate cancer (PCa) is a malignant tumor with a higher mortality rate in the male reproductive system. In this study, the hydroxyazine derivatives were synthesized with different structure from traditional anti-prostate cancer drugs. In the evaluation of in vitro cytotoxicity and antagonistic activity of PC-3, LNCaP, DU145 and androgen receptor, it was found that the mono-substituted derivatives on the phenyl group (4, 6, 7, and 9) displayed strong cytotoxic activities, and compounds 11–16 showed relatively … Show more

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Cited by 2 publications
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“…The crystal structure file of the complex was downloaded from the protein crystal structure database (Protein Data Bank, http://www.rcsb.org/pdb/ ) as the basis for molecular docking. Molecular docking was performed using the Surflex-Dock module in SYBYL-X 2.0 ( Chen et al, 2022 ; Qi et al, 2022a , b ). During pretreatment, the ligands and water molecules in the complex 2OZ7 were deleted, and only the structural part of the protein was retained.…”
Section: Methodsmentioning
confidence: 99%
“…The crystal structure file of the complex was downloaded from the protein crystal structure database (Protein Data Bank, http://www.rcsb.org/pdb/ ) as the basis for molecular docking. Molecular docking was performed using the Surflex-Dock module in SYBYL-X 2.0 ( Chen et al, 2022 ; Qi et al, 2022a , b ). During pretreatment, the ligands and water molecules in the complex 2OZ7 were deleted, and only the structural part of the protein was retained.…”
Section: Methodsmentioning
confidence: 99%