Bokosi, Fostino R. B. published the artcileSynthesis, in silico docking studies, and antiplasmodial activity of hybrid molecules bearing 7-substituted 4-aminoquinoline moiety and cinnamic acid derivatives, Safety of (E)-3-(3-Nitrophenyl)acrylic acid, the publication is Chemical Biology & Drug Design (2022), 100(1), 41-50, database is CAplus and MEDLINE.
This paper reports a series of nine hybrid compounds of 7-substituted 4-aminoquinoline and cinnamic acid as antiplasmodial agents. The synthesized compounds were moderately active, with IC50 values ranging from 1.8 to 16¦ÌM against the Pf3D7 chloroquine-sensitive strain in vitro. Compound I was shown to be the most potent in this investigation, with an IC50 value of 1.8¦ÌM. Mol. docking studies revealed that compounds II and III, with binding energies (¦¤G0) of -7.19 and -7.72 kcal/mol and inhibition constants (Ki) of 5.36 and 2.20¦ÌM, resp., were the best inhibitor candidates. The results of the Frontier MOs revealed that compounds possessed a small HOMO-LUMO energy gap. The HOMO-LUMO energy distributions indicated that the cinnamic acid regions favored the LUMO distribution, while the quinoline regions favored the HOMO energy. The investigation of absorption, distribution, metabolism, excretion, and toxicity based on in silico ADME tools predicted that the compounds have a good drug-like character.
Chemical Biology & Drug Design published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Safety of (E)-3-(3-Nitrophenyl)acrylic acid.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia