Description
Title: Novel 4-Azapregnene Derivatives: Synthesis, Antiproliferative Activity, and Molecular Docking Studies as Potential Anticancer Agents
Abstract: Novel 21E-arylidene-4-azapregn-5-ene steroids have been successfully designed, synthesized, and structurally characterized. Four different cell lines were used to test the antiproliferative activity of these new compounds. The 21E-(pyridin-3-yl)methylidene derivative from this group significantly inhibited the growth of the hormone-dependent LNCaP and T47-D cells (IC50 = 10.20 M and 1.33 M, respectively). The steroid 21E-p-nitrophenylidene-4-azapregn-5-ene was the most effective of this group in PC-3 androgen-independent cells (IC50 = 3.29 M). The 21E-(pyridin-3-yl)methylidene derivative was chosen for additional biological studies on T47-D and LNCaP cells in light of these findings, and it was demonstrated that this azasteroid appears to cause T47-D cells to undergo apoptotic death. The affinity of these 4-azapregnene derivatives to various steroid targets, including 5-reductase type 2, estrogen receptor, androgen receptor, and CYP17A1, was then investigated through molecular docking studies. In general, substances showed greater affinity for estrogen receptor and type 2 5-reductase.
Keywords: 4-azasteroids; 4-azapregnenes; aldol condensation; molecular docking; antiproliferative activity
Paper Quality: SCOPUS / Web of Science Level Research Paper
Subject: Chemistry
Writer Experience: 20+ Years
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