title: Synthesis, molecular docking and evaluation of antifungal activity of Ni(II), Co(II) and Cu(II) complexes of porphyrin core macromolecular ligand.
abstract: Porphyrin core dendrimeric ligand (L) was synthesized by Rothemund synthetic route in which p-hydroxy benzaldehyde and pyrrole were fused together. The prepared ligand was complexed with Ni(II), Cu(II) and Co(II) ions, separately. Both the ligand and its complexes were characterized by elemental analysis and spectroscopic studies (FT-IR, UV-Vis, (1)HNMR). Square planar geometries were proposed for Cu(II), Ni(II) and Co(II) ions in cobalt, Nickel and copper complexes, respectively on the basis of UV-Vis spectroscopic data. The ligand and its complex were screened on Candida albicans (ATCC 10231), Aspergillus fumigatus (ATCC 1022), Trichophyton mentagrophytes (ATCC 9533) and Pencillium marneffei by determining MICs and inhibition zones. The activity of the ligand and its complexes was found to be in the order: CuL ˃ CoL ≈ NiL ˃ L. Detection of DNA damage at the level of the individual eukaryotic cell was observed by commet assay. Molecular docking technique was used to understand the ligand-DNA interactions. From docking experiment, we conclude that copper complex interacts more strongly than rest two.
authors.affiliation: Department of Chemistry, Jamia Millia Islamia University, New Delhi 110025, India.
authors.forename: Urvashi
authors.initials: U
authors.lastname: Singh
authors.affiliation: Department of Chemistry, Govt. Degree College, Sopore 193201, J&K, India.
authors.forename: Ali Mohammad
authors.initials: AM
authors.lastname: Malla
authors.affiliation: Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India.
authors.forename: Imtiyaz Ahmad
authors.initials: IA
authors.lastname: Bhat
authors.affiliation: Department of Bio Chemistry, Aligarh Muslim University, Aligarh 202002, India.
authors.forename: Ajaz
authors.initials: A
authors.lastname: Ahmad
authors.affiliation: Department of Chemistry, Jamia Millia Islamia University, New Delhi 110025, India.
authors.forename: Mohd Nadeem
authors.initials: MN
authors.lastname: Bukhari
authors.affiliation: Department of Chemistry, Jamia Millia Islamia University, New Delhi 110025, India.
authors.forename: Sneha
authors.initials: S
authors.lastname: Bhat
authors.affiliation: Department of Chemistry, Jamia Millia Islamia University, New Delhi 110025, India.
authors.forename: Syed
authors.initials: S
authors.lastname: Anayutullah
authors.affiliation: Department of Chemistry, Jamia Millia Islamia University, New Delhi 110025, India. Electronic address: dr.aahashmi@yahoo.co.in.
authors.forename: Athar Adil
authors.initials: AA
authors.lastname: Hashmi
mesh_terms: D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D003035:Cobalt / Q000737:chemistry / Q000494:pharmacology*; D003300:Copper / Q000737:chemistry / Q000494:pharmacology*; D005658:Fungi / Q000187:drug effects; D006801:Humans; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D009181:Mycoses / Q000382:microbiology; D009532:Nickel / Q000737:chemistry / Q000494:pharmacology*; D011166:Porphyrins / Q000737:chemistry / Q000494:pharmacology*; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D000935:Antifungal Agents; D008024:Ligands; D011166:Porphyrins; D003035:Cobalt; D003300:Copper; D009532:Nickel
keywords: Aspergillus fumigatus (ATCC 1022); Candida albicans (ATCC 10231); Commet assay; DNA; MICs; Molecular docking; Pencillium marneffei; Porphyrin core; Trichophyton mentagrophytes (ATCC 9533); Zone of inhibition