Medicinal Chemistry

Department of Pharmaceutical Chemistry, College of Pharmacy, Al-Mustanseryia University, Baghdad, Iraq

Publications

• Research Article   
  Molecular Docking, Synthesis and Preliminary Evaluation of Hybrid Molecules of Benzothiazole Cross-Linked with Hydroxamic Acid by Certain Linkers as HDAC Inhibitors
  Author(s): Yazen Abdul-Hameed, Shakir M. Alwan* and Ashour H. Dawood
  
  Molecular hybridization in drug design is proved to be very successful approach to provide new chemical entities with potential activities and desirable physicochemical properties. Histone Deacetylases (HDACs) are a group of enzymes that are involved in controlling the behavior and route of acetylation of histone and non-histone proteins. Inhibition of HDACs causes inhibition of cell growth, differentiation, changes in gene expression and death. Hybrid molecules of Benzothiazole cross-linked with hydroxamic acid through an amino acid or aminoalkanoic acid were considered. The suggested hybrids (2A-E) were subjected to molecular docking to evaluate their binding affinities with HDAC8 (PDB ID: 1T69). These hybrids (2A-E) recorded lower ΔG (-8.117, -6.322, -8.16, -7.939, - 9.46, respectively) than Vorinostat (suberoylanilide hydroxamic acid, SAHA), as the re.. Read More»
  DOI: 10.37421/2161-0444.2023.13.687

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