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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

Synthesis, crystal structure, spectral and DFT studies of potent isatin derived metal complexes

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Autor(es):
Sumrra, Sajjad Hussain [1] ; Atif, Aftab Hussain [1] ; Zafar, Muhammad Naveed [2] ; Khalid, Muhammad [3, 4] ; Tahir, Muhammad Nawaz [5] ; Nazar, Muhammad Faizan [1] ; Nadeem, Muhammad Arif [2] ; Braga, Ataualpa A. C. [6]
Número total de Autores: 8
Afiliação do(s) autor(es):
[1] Univ Gujrat, Dept Chem, Gujrat City 50700 - Pakistan
[2] Quaid I Azam Univ, Dept Chem, Islamabad 45320 - Pakistan
[3] Khwaja Fareed Univ Engn & Informat Technol, Dept Chem, Rahim Yar Khan - Pakistan
[4] Univ Educ Lahore, Dept Chem, Faisalabad Campus, Faisalabad - Pakistan
[5] Univ Sargodha, Dept Phys, Sargodha - Pakistan
[6] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, Av Prof LineuPrestes 748, BR-05508000 Sao Paulo - Brazil
Número total de Afiliações: 6
Tipo de documento: Artigo Científico
Fonte: Journal of Molecular Structure; v. 1166, p. 110-120, AUG 15 2018.
Citações Web of Science: 7
Resumo

The isatin-core in compounds offers exciting perspectives in medicinal and pharmacological research. The present study reports the successful development of new isatin-core transition metal based antibacterial complexes via conventional refluxing method. The bidentate nature of as-synthesized isatin-core ligand was confirmed using various analytical techniques such as FTIR, H-1 NMR, C-13 NMR, EIMS, and single crystal X-ray diffraction. The computed analysis i.e. IR, UV-Visible, NBO (Natural Bond Orbital) and FMO (Frontier Molecular Orbital) of crystalline isatin-core ligand reflect its dimer nature and predict the conjugative interaction among molecules. Moreover, metal complexes of isatin-core ligand using metallic salts of first transition series i.e. VO(IV), Cr(III), Mn(II), Fe(II), Co(ll), Ni(II), Cu(II) and Zn(II) were prepared and further screened against bacterial strains. Octahedral geometry was proposed for all the complexes except vanadium which had square-pyramidal geometry. All the as-prepared metal complexes are found potentially active entities against both of the gram-positive and gram-negative bacterial strains. Additionally, the bacterial screened data revealed that metal complexes have better bactericidal activities compared to their parent ligand. (C) 2018 Elsevier B.V. All rights reserved. (AU)

Processo FAPESP: 15/01491-3 - Estudo teórico das reações de acoplamento-cruzado: catálise homogênea e heterogênea
Beneficiário:Ataualpa Albert Carmo Braga
Linha de fomento: Auxílio à Pesquisa - Regular
Processo FAPESP: 14/25770-6 - Novas fronteiras em reações de acoplamento cruzado mediadas por paládio: associando catálise enantiosseletiva, ativações C-H, novos materiais e reações em fluxo visando alta eficiência e sustentabilidade em processos sintéticos
Beneficiário:Carlos Roque Duarte Correia
Linha de fomento: Auxílio à Pesquisa - Temático