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© 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.

Abstract

The efficient regioselective bromination and iodination of the nonsteroidal anti-inflammatory drug (NSAID) carprofen were achieved by using bromine and iodine monochloride in glacial acetic acid. The novel halogenated carprofen derivatives were functionalized at the carboxylic group by esterification. The regioselectivity of the halogenation reaction was evidenced by NMR spectroscopy and confirmed by X-ray analysis. The compounds were screened for their in vitro antibacterial activity against planktonic cells and also for their anti-biofilm effect, using Gram-positive bacteria (Staphylococcus aureus ATCC 29213, Enterococcus faecalis ATCC 29212) and Gram-negative bacteria (Escherichia coli ATCC 25922 and Pseudomonas aeruginosa ATCC 27853). The cytotoxic activity of the novel compounds was tested against HeLa cells. The pharmacokinetic and pharmacodynamic profiles of carprofen derivatives, as well as their toxicity, were established by in silico analyses.

Details

Title
In Silico and Experimental Investigation of the Biological Potential of Some Recently Developed Carprofen Derivatives
Author
Florea Dumitrascu 1 ; Ana-Maria Udrea 2   VIAFID ORCID Logo  ; Caira, Mino R 3   VIAFID ORCID Logo  ; Nuta, Diana Camelia 4   VIAFID ORCID Logo  ; Limban, Carmen 4 ; Chifiriuc, Mariana Carmen 5   VIAFID ORCID Logo  ; Popa, Marcela 6 ; Bleotu, Coralia 7   VIAFID ORCID Logo  ; Hanganu, Anamaria 1 ; Dumitrescu, Denisa 8 ; Speranta Avram 9 

 Center for Organic Chemistry “C.D. Nenitzescu”, Romanian Academy, Spl. Independentei 202B, 060023 Bucharest, Romania; [email protected] (F.D.); [email protected] (A.H.) 
 Research Institute of the University of Bucharest—ICUB, University of Bucharest, 91-95 Splaiul Independentei, 050095 Bucharest, Romania; [email protected] (A.-M.U.); [email protected] (C.B.); National Institute of Laser, Plasma and Radiation Physics, 409 Atomistilor Str., 077125 Magurele, Romania 
 Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa 
 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, “Carol Davila” University of Medicine and Pharmacy, 6 TraianVuia Street, 020956 Bucharest, Romania; [email protected] 
 Department of Microbiology, Faculty of Biology, University of Bucharest, 1-3 Aleea Portocalelor Str., District 5, 060101 Bucharest, Romania; [email protected] (M.C.C.); [email protected] (M.P.); Romanian Academy of Scientists, 54 Spl. Independenței Str., District 5, 50085 Bucharest, Romania; The Romanian Academy, 25, Calea Victoriei, Sector 1, District 1, 010071 Bucharest, Romania 
 Department of Microbiology, Faculty of Biology, University of Bucharest, 1-3 Aleea Portocalelor Str., District 5, 060101 Bucharest, Romania; [email protected] (M.C.C.); [email protected] (M.P.) 
 Research Institute of the University of Bucharest—ICUB, University of Bucharest, 91-95 Splaiul Independentei, 050095 Bucharest, Romania; [email protected] (A.-M.U.); [email protected] (C.B.); Department of Microbiology, Faculty of Biology, University of Bucharest, 1-3 Aleea Portocalelor Str., District 5, 060101 Bucharest, Romania; [email protected] (M.C.C.); [email protected] (M.P.); Department of Cellular and Molecular Pathology, Stefan S. Nicolau Institute of Virology, 030304 Bucharest, Romania 
 Faculty of Pharmacy, Ovidius University Constanta, Str. Cpt. Av. Al. Serbanescu, Campus Corp C, 900470 Constanta, Romania; [email protected] 
 Department of Anatomy, Animal Physiology, and Biophysics, Faculty of Biology, University of Bucharest, 36-46 M. Kogălniceanu Boulevard, 050107 Bucharest, Romania; [email protected] 
First page
2722
Publication year
2022
Publication date
2022
Publisher
MDPI AG
e-ISSN
14203049
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2663054835
Copyright
© 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.