title: Synthesis, spectroscopic characterization, biological screenings, DNA binding study and POM analyses of transition metal carboxylates.
abstract: This article contains the synthesis of a novel carboxylic acid derivative, its transition metal complexes and evaluation of biological applications. Six carboxylate complexes of transition metals, Zn(II) and Hg(II), have been successfully synthesized and characterized by FT-IR and NMR (1H, 13C). The ligand, HL, (4-[(2,6-Diethylphenyl)amino]-4-oxobutanoic acid) was also characterized by single crystal X-ray analysis. The complexation occurs via oxygen atoms of the carboxylate moiety. FT-IR date show the bidentate nature of the carboxylate moiety of the ligand as the Δν value in all complexes is less than that of the free ligand. The ligand and its complexes were screened for antifungal and antileishmanial activities. The results showed that the ligand and its complexes are active with few exceptions. UV-visible spectroscopy and viscometry results reveal that the ligand and its complexes interact with the DNA via intercalative mode of interaction. A new and efficient strategy to identify the pharmacophores and anti-pharmacophores sites in carboxylate derivatives for the antibacterial/antifungal activity using Petra, Osiris and Molinspiration (POM) analyses was also carried out.
authors: Department of Chemistry Quaid-i-Azam University, 45320 Islamabad, Pakistan.
authors: Noor
authors: N
authors: Uddin
authors: Department of Chemistry Quaid-i-Azam University, 45320 Islamabad, Pakistan; Department of Chemistry, COMSATS Institute of Information Technology, Abbottabad 22060, Pakistan(1). Electronic address: m.siraj09@yahoo.com.
authors: Muhammad
authors: M
authors: Sirajuddin
authors: Department of Chemistry Quaid-i-Azam University, 45320 Islamabad, Pakistan.
authors: Nizam
authors: N
authors: Uddin
authors: Department of Chemistry, Bahauddin Zakariya University, Multan 60000, Pakistan.
authors: Muhammad
authors: M
authors: Tariq
authors: Department of Chemistry, Hazara University, Mansehra, Pakistan.
authors: Hameed
authors: H
authors: Ullah
authors: Department of Chemistry Quaid-i-Azam University, 45320 Islamabad, Pakistan. Electronic address: drsa54@hotmail.com.
authors: Saqib
authors: S
authors: Ali
authors: Department of Chemistry Quaid-i-Azam University, 45320 Islamabad, Pakistan.
authors: Syed Ahmed
authors: SA
authors: Tirmizi
authors: Department of Chemistry, COMSATS Institute of Information Technology, Abbottabad 22060, Pakistan(1).
authors: Abdur Rehman
authors: AR
authors: Khan
mesh_terms: D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D000977:Antiparasitic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D002264:Carboxylic Acids / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D004247:DNA / Q000378:metabolism*; D005658:Fungi / Q000187:drug effects; D006801:Humans; D007891:Leishmania / Q000187:drug effects; D007896:Leishmaniasis / Q000188:drug therapy; D008024:Ligands; D008628:Mercury / Q000737:chemistry* / Q000494:pharmacology; D008958:Models, Molecular; D009181:Mycoses / Q000188:drug therapy; D015032:Zinc / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D000935:Antifungal Agents; D000977:Antiparasitic Agents; D002264:Carboxylic Acids; D056831:Coordination Complexes; D008024:Ligands; D004247:DNA; D008628:Mercury; D015032:Zinc
keywords: Antifungal activity; Antileishmanial activity; DNA-interaction; Metal carboxylate; POM analysis