- Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes targeting HSP90-HER2 axis in breast cancer cells
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Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes were designed as potential HSP90 inhibitors. A series of the compounds was synthesized by oximation of (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-ones followed by O-acylation with acylamid
- Piven, Yuri A.,Yastrebova, Margarita A.,Khamidullina, Alvina I.,Scherbakov, Alexander M.,Tatarskiy, Victor V.,Rusanova, Julia A.,Baranovsky, Alexander V.,Zinovich, Veronica G.,Khlebnicova, Tatyana S.,Lakhvich, Fedor A.
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supporting information
(2021/11/30)
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- Mononuclear Co(III), Ni(II) and Cu(II) complexes of tridentate di-tert-butylphenylhydrazone: Synthesis, characterization, X-ray crystal structures, Hirshfeld surface analysis, molecular docking and in vivo anti-inflammatory activity
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A new hydrazone (LH2) derived from the condensation of 2-(4-fluorobenzamido)benzohydrazide with 3,5-di-tert-butyl-2-hydroxybenzaldehyde was used to synthesize Co(III), Ni(II) and Cu(II) complexes. These were characterized using various physicochemical, thermal, spectroscopic and single-crystal X-ray diffraction techniques. All the complexes crystallize in a monoclinic crystal system with P21/n space group and Z = 4. Structural studies of [Co(L)(LH)]?H2O indicate the presence of both amido and imidol tautomeric forms of the ligand, resulting in a distorted octahedral geometry around the Co(III) ion. On the other hand, in the [Ni(L)(DMF)] and [Cu(L)(H2O)] complexes, the ligand coordinates to the metal through imidol form resulting in distorted square planar geometry, in which the fourth position is occupied by the oxygen of coordinated DMF in [Ni(L)(DMF)] and by a water molecule in [Cu(L)(H2O)]. Hirshfeld surface calculations were performed to explore hydrogen bonding and C―H???π interactions. Molecular docking studies were carried out to study the interaction between the synthesized compounds and proteins (cyclooxygenase-2 and 5-lipoxygenase). The complexes along with the parent ligand were screened for their in vivo anti-inflammatory activity, using the carrageenan-induced rat paw oedema method. The complexes show significant anti-inflammatory potencies.
- Chimmalagi, Geeta H.,Kendur, Umashri,Patil, Sunil M.,Gudasi, Kalagouda B.,Frampton, Christopher S.,Budri, Mahantesh B.,Mangannavar, Chandrashekhar V.,Muchchandi, Iranna S.
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- The evaluation and structure-activity relationships of 2-benzoylaminobenzoic esters and their analogues as anti-inflammatory and anti-platelet aggregation agents
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Forty-seven 2-benzoylaminobenzoic esters were synthesized and evaluated in anti-platelet aggregation, inhibition of superoxide anion generation, and inhibition of neutrophil elastase release assays. Most 2-benzoylamino-4-chlorobenzoic acid derivatives showed selective inhibitory effects on arachidonic acid (AA)-induced platelet aggregation. Among them, compounds 6b and 7b exhibited more potent inhibitory effects (ca. 200-fold) than aspirin. Additionally, compounds 1a and 5a showed strong inhibitory effects on neutrophil superoxide generation with IC50 values of 0.65 and 0.17 μM, respectively. However, compounds 6d and 6e exhibited dual inhibitory effects on platelet aggregation and neutrophil elastase (NE) release; therefore, these two compounds may be new leads for development as anti-inflammatory and anti-platelet aggregatory agents.
- Hsieh, Pei-Wen,Hwang, Tsong-Long,Wu, Chin-Chung,Chiang, Shin-Zan,Wu, Chung-I,Wu, Yang-Chang
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p. 1812 - 1817
(2007/10/03)
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