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  3. Key structural requirements of benzamide derivatives for histone deacetylase inhibition: design, synthesis and biological evaluation

Key structural requirements of benzamide derivatives for histone deacetylase inhibition: design, synthesis and biological evaluation

  • Future Med Chem. 2024 Apr 16. doi: 10.4155/fmc-2023-0122.
Narges Cheshmazar 1,  Maryam Hamzeh-Mivehroud 1 2,  Salar Hemmati 3,  Hoda Abolhasani 4 5,  Fatemeh Heidari 4,  Hojjatollah Nozad Charoudeh 6,  Matthes Zessin 7,  Mike Schutkowski 7,  Wolfgang Sippl 8,  Siavoush Dastmalchi 1 2 9
Affiliations

Affiliations

  • 1 Biotechnology Research Center, Tabriz University of Medical Sciences, Tabriz, 5165665813, Iran.
  • 2 Department of Medicinal Chemistry, School of Pharmacy, Tabriz University of Medical Sciences, Tabriz, 5166414766, Iran.
  • 3 Drug applied research Center, Tabriz University of Medical Sciences, Tabriz, 5165665811, Iran.
  • 4 Cellular & Molecular Research Center, Qom University of Medical Sciences, Qom, Iran.
  • 5 Department of Pharmacology, School of Medicine, Qom University of Medical Sciences, Qom, Iran.
  • 6 Anatomical Sciences Department, Faculty of Medicine, Tabriz University of Medical, Tabriz, 5166614766, Iran.
  • 7 Department of Enzymology, Institute of Biochemistry, Martin-Luther-University Halle-Wittenberg, Halle/Saale, 06120, Germany.
  • 8 Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther-University Halle-Wittenberg, Halle/Saale, 06120, Germany.
  • 9 Faculty of Pharmacy, Near East University, PO Box 99138, Nicosia, North Cyprus, Mersin, 10, Turkey.
PMID: 38623995 DOI: 10.4155/fmc-2023-0122
Abstract

Background: Histone deacetylase inhibitors (HDACIs) are important as Anticancer agents. Objective: This study aimed to investigate some key structural features of HDACIs via the design, synthesis and biological evaluation of novel benzamide-based derivatives. Methods: Novel structures, designed using a molecular modification approach, were synthesized and biologically evaluated. Results: The results indicated that a subset of molecules with CH3/NH2 at R2 position possess selective antiproliferative activity. However, only those with an NH2 group showed HDACI activity. Importantly, the shorter the molecule length, the stronger HDACI. Among all, 7j was the most potent HDAC1-3 inhibitor and antiproliferative compound. Conclusion: The results of the present investigation could provide valuable structural knowledge applicable for the development of the HDACIs and benzamide-based antiproliferative agents in the future.

Keywords

QSAR; breast cancer; histone deacetylase inhibitors; molecular docking; molecular dynamics simulation; structure modification; synthesis.

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