940809-75-6Relevant articles and documents
Free radical scavenging and antiproliferative properties of Biginelli adducts
Da Silva, Daniel L.,Reis, Fabiano S.,Muniz, Dandara R.,Ruiz, Ana Lúcia T.G.,De Carvalho, Jo?o E.,Sabino, Ad?o A.,Modolo, Luzia V.,De Fátima, ?ngelo
, p. 2645 - 2650 (2012)
A series of Biginelli adducts bearing different substituents at C-4 position were synthesized by using p-sulfonic acid calix[4]arene as a catalyst. The in vitro potential to scavenge reactive nitrogen/oxygen species (RNS and ROS) and the ability to inhibi
Ionic liquid-assisted synthesis of dihydropyrimidin(thi)one Biginelli adducts and investigation of their mechanism of urease inhibition
Braga, Taniris Cafiero,Silva, Thamara Ferreira,MacIel, Thamilla Maria Silva,Da Silva, Edjan Carlos Dantas,Da Silva-Júnior, Edeildo Ferreira,Modolo, Luzia Valentina,Figueiredo, Isis Martins,Santos, Josué Carinhanha Caldas,De Aquino, Thiago Mendon?a,De Fátima, ?ngelo
, p. 15187 - 15200 (2019/10/08)
Twenty-six Biginelli adducts were synthesized through an ionic liquid-assisted synthesis with up to 92% yield. Sixteen of these Biginelli adducts were then assayed to determine their antiureolytic activity against purified urease from jack beans. The substances BA7-S, BA9-S and BA11-S were shown to be as efficient inhibitors as hydroxyurea, a positive control used in in vitro screening assay against urease. Fluorescence studies revealed that BA7-S, BA9-S, BA11-S and BA5-S possessed high binding constant values of 5.95, 6.72, 4.55, and 4.28 M-1, respectively, while BAS12-S, without substituents, showed a low value of log Kb = 2.16 M-1. In addition, in the most thermodynamically favorable BA5-S and BA7-S urease complexes, the corresponding Biginelli adducts were capable of interacting with the active site of urease through non-ionic interactions, such as hydrophobic interactions, or hydrogen and van der Waals interactions, respectively. In silico studies also supported that the BAs interact with the active site, confirming the fluorescence and kinetic assay studies, which clearly indicate that BA5-S and BA7-S are competitive inhibitors (Ki = 0.96 and 0.57 mM, respectively). In silico studies also showed that the substituents in the aromatic ring interact with Ni atoms to form a stable complex.
Urease inhibitors of agricultural interest inspired by structures of plant phenolic aldehydes
Horta, Lívia P.,Mota, Yane C.C.,Barbosa, Gisele Maria,Braga, Taniris C.,Marriel, Ivanildo E.,De Fátima, ?ngelo,Modolo, Luzia V.
, p. 1512 - 1519 (2016/08/10)
The plant phenolic natural products (PNPs) protocatechuic aldehyde, syringaldehyde and vanillin were used as platforms for obtaining four urease inhibitors. Urea (urease substrate) or thiourea (urease inhibitor) core was added to the structure of newly sy
