- Synthesis, Biological Evaluation and Molecular Docking of Deferasirox and Substituted 1,2,4-Triazole Derivatives as Novel Potent Urease Inhibitors: Proposing Repositioning Candidate
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A series of new deferasirox derivatives were synthesized through the reaction of monosubstituted hydrazides with 2-(2-hydroxyphenyl)-4H-benzo[e][1,3]oxazin-4-one. For the first time, deferasirox and some of its derivatives were evaluated for their in vitro inhibitory activity against Jack bean urease. The potencies of the members of this class of compounds are higher than that of acetohydroxamic acid. Two compounds, bearing tetrazole and hydrazine derivatives (bioisoester of carboxylate group), represented the most potent urease inhibitory activity with IC50 values of 1.268 and 3.254 μm, respectively. In silico docking studies were performed to delineate possible binding modes of the compounds with the enzyme, urease. Docking analysis suggests that the synthesized compounds were anchored well in the catalytic site and extending to the entrance of binding pocket and thus restrict the mobility of the flap by interacting with its crucial amino acid residues, CME592 and His593. The overall results of urease inhibition have shown that these target compounds can be further optimized and developed as a lead skeleton for the discovery of novel urease inhibitors.
- Amanlou, Massoud,Azizian, Homa,Balalaie, Saeed,Biglar, Mahmood,Fathi Vavsari, Vaezeh,Mahernia, Shabnam,Sadeghi Alavijeh, Nahid,Salehi Ashani, Razieh,Sheysi, Niloofar
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- Proton transfer triggered proton transfer: A self-assisted twin excited state intramolecular proton transfer
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The double excited state intramolecular proton transfer (ESIPT) of 3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazole (bis-HPTA), a molecule possessing two intramolecular hydrogen bonded donor-acceptor pairs, has been investigated. The molecule undergoes not only
- Sahu, Saugata,Das, Minati,Bharti, Aditya Kumar,Krishnamoorthy
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p. 27131 - 27139
(2018/11/20)
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- Synthesis and characterization of related substances of deferasirox, an iron (Fe3+) chelating agent
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Deferasirox is an orally active iron chelating agent, and during process development for deferasirox, we observed six related substances (impurities), namely deferasirox methyl ester, deferasirox salicylyl derivative, deferasirox ethyl ester, deferasirox methoxy carbonyl derivative, bis(salicyl)imide, and deferasirox-2-isomer. The present work describes the detection, origin, synthesis, and characterization of these related substances.
- Rao, Vascuri Janardhana,Mukkanti, Kagga,Vekariya,Gupta, P. Badrinadh,Islam, Aminul
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p. 3200 - 3210
(2012/11/13)
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- NEW TRIAZINE DERIVATIVE, ULTRAVIOLET ABSORBER, AND RESIN COMPOSITION
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To provide a novel triazine-based compound exhibiting an ultraviolet blocking effect even in the long-wavelength region and being useful as an ultraviolet absorber with excellent light resistance, and to provide an ultraviolet absorber and a resin composition, which can maintain a long-wavelength ultraviolet-blocking effect for a long period of time. A compound represented by the following formula (1): wherein each of R1a, R1b, R1c, R1d and R1e independently represents a hydrogen atom or a monovalent substituent excluding OH, provided that at least one substituent represents a substituent having a Hammett's σp value of 0.3 or more and substituents may combine with each other to form a ring, and each of R1g, R1h, R1i, R1j, R1k, R1m, R1n and R1p independently represents a hydrogen atom or a monovalent substituent, provided that substituents may combine with each other to form a ring.
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Page/Page column 40
(2012/06/18)
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- Synthesis, biological evaluation, and structure-activity relationships of N -benzoyl-2-hydroxybenzamides as agents active against P. falciparum (K1 strain), trypanosomes, and leishmania
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In our efforts to identify novel chemical scaffolds for the development of new antiprotozoal drugs, a compound library was screened against Toxoplasma gondii tachyzoites with activity discovered for N-(4-ethylbenzoyl)-2- hydroxybenzamide 1a against T. gon
- Stec, Jozef,Huang, Qingqing,Pieroni, Marco,Kaiser, Marcel,Fomovska, Alina,Mui, Ernest,Witola, William H.,Bettis, Samuel,McLeod, Rima,Brun, Reto,Kozikowski, Alan P.
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p. 3088 - 3100
(2012/06/01)
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- PROCESSES FOR THE PREPARATION OF DEFERASIROX, AND DEFERASIROX POLYMORPHS
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The present invention relates to processes for the preparation of deferasirox, an oral iron chelator developed to treat iron overload due to e.g. multiple blood transfusions. The present invention further provides novel deferasirox pseudopolymorphs and a novel amorphous form of deferasirox, processes for their preparation, as well as pharmaceutical compositions comprising same, and use thereof in treating iron overload.
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Page/Page column 62
(2011/06/26)
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