Evaluating a series of new curcumin derivatives as potential anti-breast cancer agents: A collective analysis of in-vitro and in-silico characterization

被引:2
作者
Yuvashri, R. [1 ]
Thendral, Era Dravida [1 ]
Jonathan, D. Reuben [2 ]
Fathima, Anish [1 ]
Laavanya, K. [1 ]
Usha, G. [1 ]
机构
[1] Univ Madras, Queen Marys Coll A, PG & Res Dept Phys, Chennai 4, India
[2] Univ Madras, Madras Christian Coll A, Dept Chem, Chennai 59, India
来源
CHEMICAL PHYSICS IMPACT | 2024年 / 9卷
关键词
Curcumin derivatives; Molecular docking; Anti-cancer; Cytotoxicity; Pharmacokinetic properties; DRUG; BIOAVAILABILITY; PERMEABILITY; PREDICTION; DISCOVERY; DOCKING; GROWTH; DESIGN;
D O I
10.1016/j.chphi.2024.100663
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In this work, a series of curcumin derivatives have been synthesized using Claisen Schmidt condensation reaction & Schotten-Baumann reaction, and they were screened through in-silico and in-vitro analysis to determine their capacity as a potential agent against breast cancer. Molecular docking reveals that the compounds are in good fit in the active site region of the target protein. Anti-cancer activity reveals that compounds are highly active against the MCF-7 cell lines, even at low concentration. Among the synthesized compounds, a set of five (Group B) exhibits a nontoxic effect against normal cell lines even at high concentration, whereas the other set of six compounds (Group A) display a toxic effect. The drug likeliness and pharmacokinetic properties reveal that the compounds can be lead drug materials against breast cancer.
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页数:11
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