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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Author(s):
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]
Total Authors: 8
Affiliation:
[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
Total Affiliations: 6
Document type: Journal article
Source: Journal of Molecular Structure; v. 1166, p. 110-120, AUG 15 2018.
Web of Science Citations: 7
Abstract

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)

FAPESP's process: 14/25770-6 - New frontiers in cross-coupling reactions promoted by palladium: combining enantioselective catalysis, C-H activations, new materials and in flux reactions aiming at high efficiency and sustainability in synthetic processes
Grantee:Carlos Roque Duarte Correia
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 15/01491-3 - Theoretical study of cross-coupling reactions: homogeneous and heterogeneous catalysis
Grantee:Ataualpa Albert Carmo Braga
Support Opportunities: Regular Research Grants