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Design, synthesis, in vitro and computational analyses of anticancer nicotinamide derivatives

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Title Design, synthesis, in vitro and computational analyses of anticancer nicotinamide derivatives
 
Creator Gömeç, Muhammed
Nasif, Vesim
Kafa, Ayşe Hümeyra Taşkin
Sayin, Koray
Gezegen, Hayreddin
Ataseven, Hilmi
 
Subject Nicotinamide
Synthesis
DFT
In silico
Anticancer
 
Description 145-158
The search for ideal treatment continues for many health problems such as cancer and infection. In this context, new
synthesis compounds have been promising and the nicotinamide derivative compounds, which is an important heterocyclic
derivative, has attracted the attention of many researchers. Nowdays, anticancer, antifungal, antimicrobial, antibacterial and
antibiofilm effects of some nicotinamide derivatives have been demonstrated. In this study, nine new nicotinamide
derivative compounds have been designed and synthesized. The characterization of these synthesized compounds have been
done by in silico methods. The anticancer effects of the compounds have been investigated in four different cancer types and
compared with their effects on healthy fibroblast cells. N4 has been found to have a cytotoxic effect on MCF-7 human
breast cancer, and the IC50 value has been calculated as 12.1 μM. In addition, antibacterial, antifungal and antibiofilm
activities were investigated by in vitro methods and they have been shown to be effective. As a result, it is observed that N4,
one of the newly synthesized nicotinamide derivative compounds, has a serious cytotoxic effect in MCF-7 human breast
cancer cells compared to healthy fibroblast cells. Pharmacophore map and ADME analyses of studied compound are
performed in detail.
 
Date 2024-02-21T07:35:33Z
2024-02-21T07:35:33Z
2024-02
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/63377
https://doi.org/10.56042/ijc.v63i2.4273
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJC Vol.63(02) [Feb 2024]