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dc.contributor.authorKumar, Vijay
dc.contributor.authorChawla, Mohit
dc.contributor.authorCavallo, Luigi
dc.contributor.authorBasit Wani, Abdul
dc.contributor.authorManhas, Anu
dc.contributor.authorKaur, Sukhmanpreet
dc.contributor.authorPoater, Albert
dc.contributor.authorChadar, Hemlata
dc.contributor.authorNirajUpadhyay
dc.date.accessioned2017-09-20T06:02:14Z
dc.date.available2017-09-20T06:02:14Z
dc.date.issued2017-09-14
dc.identifier.citationKumar V, Chawla M, Cavallo L, Basit Wani A, Manhas A, et al. (2017) Complexation of trichlorosalicylic acids by alkaline and first row transition metals as a switch for their antibacterial activity. Inorganica Chimica Acta. Available: http://dx.doi.org/10.1016/j.ica.2017.08.064.
dc.identifier.issn0020-1693
dc.identifier.doi10.1016/j.ica.2017.08.064
dc.identifier.urihttp://hdl.handle.net/10754/625474
dc.description.abstract3,5,6-trichlorosalicylic acid (TCSA) does not show a good antibacterial activity. In contrast, here metal complexes with TCSA have shown better antibacterial activity for selected bacterial strains with a good degree of selectivity. Amongst the eight synthesized essential metal complexes complexed with TCSA, Mn(II)-TCSA and Ni(II)-TCSA have been found to be more effective with MIC range 20-50 µg/L as compared to control (chloramphenicol). The activity of an individual complex against different microbes was not found to be identical, indicating the usage of an individual metal chelate against a targeted bacterial strain. Further, the protein (BSA) binding constant of TCSA and its metal complexes were determined and ordered as Ca(II)-TCSA > Cu(II)-TCSA > Mg(II)-TCSA >> Mn(II)-TCSA >> Zn(II)-TCSA >>> Ni(II)-TCSA >>> Co(II)-TCSA > Fe(II)-TCSA > TCSA. The present study has confirmed enhanced antibacterial activities and binding constants for metal chelates of TCSA as compared to free TCSA, which seems directly related with the antioxidant activities of these complexes. Further, bearing the ambiguity related to the structural characterization of the metal complexed with TCSA ligands, DFT calculations have been used as the tool to unravel the right environment around the metals, studying basically the relative stability of square planar and octahedral metal complexes with TCSA.
dc.description.sponsorshipThis work is supported (finically) by UGC, India through UGC- start-up grant provided to Dr. Niraj Upadhyay (No. F. 30-70/2014) and by Rajiv Gandhi National Fellowship scheme awarded to Mr. Vijay Kumar (RGNF-SCHIM-1223). Authors also like to acknowledge SAIF, Punjab University Chandigarh and SAIF, Kerala University Kochi for the provision of instrument facilities. Dr. AlbertPoater thanks the Spanish MINECO for a project CTQ2014-59832-JIN. Sr. Mohit Chawla and Prof. Luigi Cavallo thank King Abdullah University of Science and Technology (CFF project) for support.
dc.publisherElsevier BV
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0020169317308599
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Inorganica Chimica Acta. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Inorganica Chimica Acta, [, , (2017-09-14)] DOI: 10.1016/j.ica.2017.08.064 . © 2017. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectTrichlorosalicylic acid
dc.subjectdivalent essential metal complexes
dc.subjectantibacterial activity
dc.subjectDFT calculation
dc.subjectBSA protein binding
dc.titleComplexation of trichlorosalicylic acids by alkaline and first row transition metals as a switch for their antibacterial activity
dc.typeArticle
dc.contributor.departmentChemical Science Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalInorganica Chimica Acta
dc.eprint.versionPost-print
dc.contributor.institutionRegional Ayurveda Research Institute of Drug Development, Gwalior, India
dc.contributor.institutionDepartment of Chemistry, School of Sciences, Lovely Professional University, Jalandhar, India
dc.contributor.institutionSchool of Chemical Sciences, Central University of Gujarat, Gujarat, India
dc.contributor.institutionInstitut de Química Computacionali Catàlisi and Departament de Química, Universitat de Girona, Campus Montilivi, 17071 Girona, Catalonia, Spain
dc.contributor.institutionDepartment of Chemistry, Dr. Harisingh Gour University, Madhya Pradesh, India
kaust.personChawla, Mohit
kaust.personCavallo, Luigi
kaust.personPoater, Albert


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