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Updated: Jan 12, 2026
Combinatorial Synthesis of and High-throughput Protein Release from Polymer Film and Nanoparticle Libraries
Published on: September 6, 2012
Computational and molecular docking analysis of a novel azo compound and its nanocomposite biopolymer synthesized via
Manar Ghyath Abd-Almutalib1, N A Naser2,3
1Department of Pharmacy Techniques, Kufa, Technical Institute, Al-Furat Al-Awsat Technical University, 31001, Kufa, Al-Najaf, Iraq. manar.alawi@atu.edu.iq.
Abstract:
The synthesis of an azo molecule from phenol and dapsone was investigated using density functional theory (DFT) and infrared spectroscopy. The electronic structure and molecular interactions of the 4-((4-((4-aminophenyl)sulfonyl)phenyl)diazenyl) phenol (AZO) compound were analyzed at the B3LYP/6-311G(d,p) level. Pharmacokinetic properties were predicted using Swiss ADME, and molecular docking revealed π-alkyl and hydrophobic interactions with the 3H7O protein. Structural analysis via XRD and TEM confirmed the successful intercalation of AZO into Na-BNT, contributing to improved dispersion within the PCL/cornstarch matrix. The resulting nanocomposite demonstrated enhanced thermal stability and mechanical performance, highlighting its potential for biodegradable packaging and advanced material applications.
