title: Efficiently functionalized oxacalix[4]arenes: Synthesis, characterization and exploration of their biological profile as novel HDAC inhibitors.
abstract: A series of novel substituted oxacalix[4]arene has been synthesized and explored for their biological profile by evaluating anticancer, antifungal and antibacterial properties. The derivatives have been characterized by various spectroscopic techniques such as IR, (1)H NMR, (13)C NMR and Mass spectrometry. Many compounds showed strong inhibition (MIC) in the range of ∼0-50 μM with interesting cytotoxic activities against Hela cells in particular. The compounds were theoretically evaluated by docking studies as potential histone deacetylase inhibitors (HDACi). The study indicates that compounds bound adequately with HDAC, and hence complemented the experimental findings.
authors.affiliation: Gujarat University, Navrangpura, Ahmedabad 380009, India.
authors.forename: Viren
authors.initials: V
authors.lastname: Mehta
authors.affiliation: CCG@CUG Group, School of Chemical Sciences, Central University of Gujarat, Sector-30, Gandhinagar 382030, India.
authors.forename: Mohd
authors.initials: M
authors.lastname: Athar
authors.affiliation: CCG@CUG Group, School of Chemical Sciences, Central University of Gujarat, Sector-30, Gandhinagar 382030, India.
authors.forename: P C
authors.initials: PC
authors.lastname: Jha
authors.affiliation: Gujarat University, Navrangpura, Ahmedabad 380009, India.
authors.forename: Manthan
authors.initials: M
authors.lastname: Panchal
authors.affiliation: Gujarat University, Navrangpura, Ahmedabad 380009, India.
authors.forename: Krunal
authors.initials: K
authors.lastname: Modi
authors.affiliation: Gujarat University, Navrangpura, Ahmedabad 380009, India.
authors.forename: V K
authors.initials: VK
authors.lastname: Jain
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D047250:Calixarenes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D005658:Fungi / Q000187:drug effects; D006090:Gram-Negative Bacteria / Q000187:drug effects; D006094:Gram-Positive Bacteria / Q000187:drug effects; D006367:HeLa Cells; D056572:Histone Deacetylase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D006655:Histone Deacetylases / Q000737:chemistry* / Q000378:metabolism; D006801:Humans; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D017434:Protein Structure, Tertiary
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D000970:Antineoplastic Agents; D056572:Histone Deacetylase Inhibitors; D047250:Calixarenes; D006655:Histone Deacetylases
keywords: Anti-cancer activity; Docking; Molecular recognition; Oxacalix[4]arene