Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties

Ayşen Şuekinci Yılmaz; Perihan Kızılkaya Saltık

doi:10.17776/csj.1993326

Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties

Abstract

In this study, novel tetra- and di-substituted cyclotriphosphazene derivatives (5-8) were designed, synthesized, and characterized by mass, FT-IR, and NMR (¹H, ¹³C, and ³¹P) spectroscopies. An organic–inorganic hybridization strategy was employed to design the target compounds. A three-step synthetic route, consisting of nucleophilic substitution and click reactions, was used to construct the desired derivatives. As a result, cyclotriphosphazene-based compounds bearing both triazole and quinoline heterocyclic moieties on the phosphazene core were successfully obtained. Molecular docking studies evaluated the interactions of the synthesized compounds with Human Serum Albumin (HSA), and toxicity properties were predicted with ProTox 3.0. The binding energies of compounds 5, 6, 7, and 8 to HSA were -10.5, -10.9, -13.5, and -14.1 kcal/mol, respectively, and these compounds showed stronger binding than the co-crystallized ligand, warfarin (-10.0 kcal/mol). According to ProTox 3.0, the estimated oral toxic dose was found to be 10,000 mg/kg for compounds 5 and 6, while 1,000 mg/kg for compounds 7 and 8, respectively. The GHS toxicity class is VI for compounds 5 and 6 and IV for compounds 7 and 8, indicating low to moderate acute oral toxicity.

Keywords

Cyclotriphosphazene, Hybrid molecules, Human serum albumin, Quinoline, Triazole

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Details

Primary Language

English

Subjects

Inorganic Chemistry (Other), Organic Chemical Synthesis

Journal Section

Research Article

Authors

Ayşen Şuekinci Yılmaz ^*
0000-0002-1928-0204
Türkiye

Perihan Kızılkaya Saltık
0000-0001-9166-9217
Türkiye

Publication Date

October 27, 2026

Submission Date

July 13, 2026

Acceptance Date

September 30, 2026

Published in Issue

Year 2026 Volume: 47 Number: 5

DOI

https://doi.org/10.17776/csj.1993326

IZ

https://izlik.org/JA65YH56NJ

APA

Şuekinci Yılmaz, A., & Kızılkaya Saltık, P. (2026). Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties. Cumhuriyet Science Journal, 47(5), 932-942. https://doi.org/10.17776/csj.1993326

AMA

1.Şuekinci Yılmaz A, Kızılkaya Saltık P. Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties. CSJ. 2026;47(5):932-942. doi:10.17776/csj.1993326

Chicago

Şuekinci Yılmaz, Ayşen, and Perihan Kızılkaya Saltık. 2026. “Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking With Human Serum Albumin and Toxicity Properties”. Cumhuriyet Science Journal 47 (5): 932-42. https://doi.org/10.17776/csj.1993326.

EndNote

Şuekinci Yılmaz A, Kızılkaya Saltık P (October 1, 2026) Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties. Cumhuriyet Science Journal 47 5 932–942.

IEEE

[1]A. Şuekinci Yılmaz and P. Kızılkaya Saltık, “Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties”, CSJ, vol. 47, no. 5, pp. 932–942, Oct. 2026, doi: 10.17776/csj.1993326.

ISNAD

Şuekinci Yılmaz, Ayşen - Kızılkaya Saltık, Perihan. “Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking With Human Serum Albumin and Toxicity Properties”. Cumhuriyet Science Journal 47/5 (October 1, 2026): 932-942. https://doi.org/10.17776/csj.1993326.

JAMA

1.Şuekinci Yılmaz A, Kızılkaya Saltık P. Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties. CSJ. 2026;47:932–942.

MLA

Şuekinci Yılmaz, Ayşen, and Perihan Kızılkaya Saltık. “Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking With Human Serum Albumin and Toxicity Properties”. Cumhuriyet Science Journal, vol. 47, no. 5, Oct. 2026, pp. 932-4, doi:10.17776/csj.1993326.

Vancouver

1.Ayşen Şuekinci Yılmaz, Perihan Kızılkaya Saltık. Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties. CSJ. 2026 Oct. 1;47(5):932-4. doi:10.17776/csj.1993326

As of 2026, Cumhuriyet Science Journal will be published in six issues per year, released in February, April, June, August, October, and December

Design, Synthesis, and Characterization of Novel Cyclotriphosphazene Derivatives Bearing Triazole and Quinoline Moieties: Molecular Docking with Human Serum Albumin and Toxicity Properties

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