Work

Co-crystals of thiobarbituric acid and N-heterocyclic compounds: Synthesis, structural, solubility, computational, and antilymphoma activity

Year: 2024

Type: article

Abstract: Two new co-crystals ( 1–2 ) were prepared by the reaction of 2-thiobarbituric acid with N -heterocyclic compounds, and successfully characterized. X-ray analysis shows that 1 and 2 have zig-zag and ladder like supramolecular frameworks, respectively. HOMO-LUMO analysis of optimized geometries confirmed the lesser band gap of 1 and 2 . Co-crystals 1–2 have solubility values of 19.737 and 25.652 mg/ml, respectively, and they may have good bioactivity. The cytotoxic activity of 1–2 indicated the tumor growth inhibitory ability of 1 and 2 against T cell lymphoma . Interestingly, apoptosis evaluation by Wright-Giemsa and DAPI staining suggested that 1 and 2 mediated tumor cell death through apoptosis induction . In addition, the estimation of glucose, pH, and NO also indicated the possible role of inhibited glucose uptake and augmented NO production in the cell death mediated by 1 and 2 .

Source: Next Materials

DOI: 10.1016/j.nxmate.2024.100375

Authors: Nidhi Goel, Hem Lata, Dhananjay S. Raghubanshi, Shiv Govind Rawat, Ajay Kumar, Naresh Kumar

Institutions: Banaras Hindu University, University of Delhi

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $1,250