Design and Synthesis of Oxazole-Linked Pyrazole Chalcone Derivatives: In-Vitro Anticancer Evaluation and In-Silico Molecular Docking Studies

被引：12

作者：

Rangaswamy, Singamsetty ^{[1
]}

Sreenivasulu, Reddymasu ^{[2
]}

Bhuvan Tej, Mandava ^{[3
]}

Ramesh Babu, Vankayala ^{[1
]}

Kumar Kapavarapu, Ravi ^{[4
]}

Kumar Abbaraju, V. D. N. ^{[1
]}

机构：

[1] Gandhi Inst Technol & Management Deemed Univ, GITAM Sch Sci, Dept Chem, Visakhapatnam 530045, Andhra Prades, India

[2] Jawaharlal Nehru Technol Univ, Univ Coll Engn Autonomous, Dept Chem, Kakinada 533003, Andhra Prades, India

[3] Sacred Heart Univ, Dept Healthcare Informat, 5151 Pk Ave, Fair Fields, CT 06825 USA

[4] Nirmala Coll Pharm, Dept Pharmaceut Chem & Phytochem, Mangalagiri 522503, Andhra Prades, India

来源：

CHEMISTRYSELECT | 2023年 / 8卷 / 45期

关键词：

Rimonabant; pyrazole; isoliquiritigenin; chalcone; anticancer activity; DNA-BINDING AFFINITY; BIOLOGICAL EVALUATION; ORAL ETOPOSIDE; X-RAY; INHIBITORS; CANCER; KINASE; COMPLEXES;

D O I：

10.1002/slct.202302395

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new series of oxazole linked pyrazole chalcone derivatives (9 a-j) has been developed, prepared and tested for in vitro anticancer activity against SiHa, A549, MCF-7, and Colo-205 cancer cell lines with etoposide employed as a positive control. The IC50 values of the synthesized compounds vary from 0.01 +/- 0.0081 mu M to 11.6 +/- 6.10 mu M, while the IC50 values of the positive control range from 0.14 +/- 0.017 mu M to 3.11 +/- 0.11 mu M, respectively. Six compounds such as 9 a, 9 b, 9 c, 9 d, 9 i, and 9 j have showed more potent activity than the others. Based on the docking simulations conducted on Human Topoisomerase II, it is evident that compounds 9 a, 9 b, 9 c, and 9 d exhibited superior binding affinity and interaction profiles compared to other compounds analyzed in this in silico study. The compound 9 d with 4-pyridyl ring displayed remarkable activity against SiHa, A549, MCF-7, and Colo-205 cell lines with IC50 values of 0.14 +/- 0.046 mu M; 0.01 +/- 0.0081 mu M; 0.07 +/- 0.0055 mu M and 0.04 +/- 0.0071 mu M respectively.image

引用

页数：9

共 43 条

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