1017898-58-6Relevant articles and documents
Design, synthesis and biological evaluation of 3,5-diaryl isoxazole derivatives as potential anticancer agents
Algul, Oztekin,Burmaoglu, Serdar,Gambacorta, Nicola,Karatas, Omer Faruk,Nicolotti, Orazio,Sanli, Fatma,Yucel, Mehmet Ali,Akinalp, G?k?en,Akta?, Derya An?l
, (2020)
The present study was carried out in the attempt to synthesize a new class of potential anticancer agents comprising eleven compounds (24–34) sharing the 3,5-diarylisoxazole as a core. The chemical structure of the new synthesized compounds was established by IR, 1H NMR, 13C NMR and elemental analysis. Their biological potential towards prostate cancer was evaluated by using cancer PC3 cells and non-tumorigenic PNT1a cells. Interestingly, compound 26 distinguished from others with a quite high selectivity value that is comparable to 5-FU. The binding mode of 26 towards Ribosomal protein S6 kinase beta-1 (S6K1) was investigated at a molecular level of detail by employing docking simulations based on GLIDE standard precision as well as MM-GBSA calculations.
Trimethoxy-chalcone derivatives inhibit growth of Leishmania braziliensis: Synthesis, biological evaluation, molecular modeling and structure-activity relationship (SAR)
Bello, Murilo Lamim,Chiaradia, Louise Domeneghini,Dias, Luiza Rosaria Sousa,Pacheco, Leticia Kramer,Stumpf, Taisa Regina,Mascarello, Alessandra,Steindel, Mario,Yunes, Rosendo Augusto,Castro, Helena Carla,Nunes, Ricardo Jose,Rodrigues, Carlos Rangel
experimental part, p. 5046 - 5052 (2011/09/30)
In this work we described the synthesis, the antileishmanial activity and the molecular modeling and structure-activity relationship (SAR) evaluations of a series of chalcone derivatives. Among these compounds, the methoxychalcones 2h, 2i, 2j, 2k and 2l showed significant antileishmanial activity (IC 50 50 = 2.7 μM), 2j (IC50 = 3.9 μM) and 2k (IC50 = 4.6 μM) derivatives presented better antileishmanial activity than the control drug pentamidine (IC50 = 6.0 μM). Our SAR study showed the importance of methoxy di-ortho substitution at phenyl ring A and the relationship between the frontier orbital HOMO coefficients distribution of these molecules and their activity. The most active compounds 2h, 2i, 2j, 2k, and 2l fulfilled the Lipinski rule-of-five which theoretically is important for good drug absorption and permeation through biological membranes. The potential profile of 2j (IC 50 = 3.9 μM and CC50 = 216 μM) pointed this chalcone derivative as a hit compound to be further explored in antileishmanial drug design.
Synthesis and pharmacological activity of chalcones derived from 2,4,6-trimethoxyacetophenone in RAW 264.7 cells stimulated by LPS: Quantitative structure-activity relationships
Chiaradia, Louise Domeneghini,dos Santos, Rodrigo,Vitor, Carlos Eduardo,Vieira, Andre Alexandre,Leal, Paulo Cesar,Nunes, Ricardo Jose,Calixto, Joao Batista,Yunes, Rosendo Augusto
, p. 658 - 667 (2008/09/17)
Inhibition of nitric oxide (NO) production by altering the expression of induced enzymes involved is potentially an important strategy for obtaining antiinflammatory agents. In the search for hits to obtain lead compounds for new drugs of this class, 14 s
Synthetic chalcones as efficient inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase PtpA
Chiaradia, Louise Domeneghini,Mascarello, Alessandra,Purificacao, Marcela,Vernal, Javier,Cordeiro, Marlon Norberto Sechini,Zenteno, Maria Emilia,Villarino, Andrea,Nunes, Ricardo Jose,Yunes, Rosendo Augusto,Terenzi, Hernan
supporting information; experimental part, p. 6227 - 6230 (2009/06/30)
In the search for lead compounds for new drugs for tuberculosis, the activity of 38 synthetic chalcones were assayed for their potential inhibitory action towards a protein tyrosine phosphatase from Mycobacterium tuberculosis - PtpA. The compounds were ob