Sahiba, Nusrat published the artcileA facile biodegradable chitosan-SO3H catalyzed acridine-1,8-dione synthesis with molecular docking, molecular dynamics simulation and density functional theory against human topoisomerase II beta and Staphylococcus aureus tyrosyl-tRNA synthetase, SDS of cas: 134-96-3, the publication is Journal of Molecular Structure (2022), 133676, database is CAplus.
An efficient and ecobenign pseudo one-pot multicomponent synthesis of I [R = Me, Et, Ph, etc,] was investigated using biodegradable and heterogeneous catalyst, chitosan-SO3H under ambient reaction conditions. The highly proficient reaction of dimedone, aldehydes, and ammonium acetate in aqueous ethanol using chitosan-SO3H catalyst at room temperature showed high yields in short reaction time. The bioactivity of mols. was further studied through mol. docking and mol. dynamics simulations, protein-ligand interaction energy calculations and DFT studies. Among all, acridinedione compounds I [R = 4-methoxyphenyl], I [R = 4-cyanophenyl], I [R = 4-hydroxyphenyl] and I [R = 4-(benzyloxy)phenyl] (- 10.8 kcal/mol), I [R = 3-nitrophenyl], I [R = 4-nitrophenyl], I [R = 3,4-dimethoxyphenyl]were the most potent against Human Topoisomerase II beta (3QX3) and Staphylococcus aureus (S. aureus) tyrosyl-tRNA synthetase (1JIJ), resp. and displayed good binding affinity and interaction pattern. Easy availability of substrate and catalyst, use of biodegradable and recyclable polymeric solid acid catalyst, avoid the use of toxic and metallic reagents, operational simplicity, no need of column chromatog., easy workup, clean reaction profile, high yields (70-95%) and purity in short time period (3-12 min) with wide substrate scope (32 derivatives including 10 novel) and broad spectrum of bioactivity are notable advantages of the present protocol.
Journal of Molecular Structure published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, SDS of cas: 134-96-3.
Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem