Synthesis, anticancer activity, docking and computational studies of new pyridyl-glycosyl hybrids and acyclic analogs

被引：1
|
作者：
El-Bayaa, Mohamed N. [1 ]
Kotb, Eman R. [2 ]
Messaoudi, Sabri [1 ]
Awad, Hanem M. [3 ]
Saleh, Mahmoud G. [4 ]
Soliman, Hanan A. [2 ]
机构：
[1] Qassim Univ, Dept Chem, Coll Sci, Buraydah 51452, Saudi Arabia
[2] Natl Res Ctr, Photochem Dept, POB 12622, Dokki, Cairo, Egypt
[3] Natl Res Ctr, Tanning Mat & Leather Technol Dept, Dokki 12622, Giza, Egypt
[4] Northern Border Univ, Coll Sci, Dept Chem, Ar Ar 91431, Saudi Arabia
来源：
FUTURE MEDICINAL CHEMISTRY | 2024年 / 16卷 / 20期
关键词：
acyclic nucleosides; cancer; cell line; Cytotoxicity; glycosides; pyridine; ANTITUMOR-ACTIVITY; NICOTINONITRILE DERIVATIVES; BIOLOGICAL EVALUATION; IN-SILICO; INHIBITORS; BOSUTINIB; KINASES; VITRO;
D O I：
10.1080/17568919.2024.2389768
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
New pyridine-O-glycosides and their acyclic nucleoside analogues were prepared by heterocyclization and glycosylation. The anticancer activity against HCT-116, HepG2 and MCF-7 human cancer cells and BJ-1 cell revealed that the galacto- and xylopyranosyl glycosides possessing 4-bromophenyl have superior cytotoxic activities against HepG2 cell while glycosides 7-9 resulted in superior cytotoxic activities regarding MCF-7 breast cell. In case of HCT-116 colorectal carcinoma cells, two products and the derived glycosides and acyclic analogues showed potent activities. The most potent compounds were investigated for their possible binding affinities to the active site of CDK2 enzyme via in silico molecular docking simulation in addition to computational studies. The results support the antiproliferative effect and elucidate the interactions of 3a and 8 with catalytic sites. [GRAPHICS]
引用
收藏
页码：2119 / 2133
页数：15
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