1. Computational studies and sever apoptotic bioactivity of new heterocyclic cyanoacrylamide based p-fluorophenyl and p-phenolic compounds against liver carcinoma (Hepg2).
- Author
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Mohamed MF, Saddiq AA, Al-Shaikh TM, Ibrahim NS, and Abdelhamid IA
- Subjects
- Acrylamide chemistry, Antineoplastic Agents chemistry, Carcinoma, Hepatocellular pathology, Cell Line, Tumor, Cell Proliferation drug effects, Dose-Response Relationship, Drug, Heterocyclic Compounds chemistry, Humans, Liver Neoplasms pathology, Molecular Docking Simulation, Molecular Structure, Phenols chemistry, Structure-Activity Relationship, Acrylamide pharmacology, Antineoplastic Agents pharmacology, Apoptosis drug effects, Carcinoma, Hepatocellular drug therapy, Heterocyclic Compounds pharmacology, Liver Neoplasms drug therapy, Phenols pharmacology
- Abstract
An efficient route for the preparation of new heterocyclic cyanoacrylamides based p-fluorophenyl and p-phenolic compounds was depicted. All structures were confirmed based on the different spectral tools and elemental analyses. MTT assay for the novel synthesized series was performed against four different cell lines (A549, MCF7, Hepg2, and Wi38). Among all tested groups, the p-phenolic compound 10 (207.1 µg/ml) and the corresponding p-fluorophenyl derivative 6 (325.7 µg/ml) were selected for further simulation and molecular studies against liver carcinoma. Compounds 6 and 10 were investigated theoretically to different protein sets as (cdk2, Bcl2-xl, cIAP1-BIR3, and MDM2) and they illustrated different binding affinities. The computational studies and different molecular techniques (e.g. cell cycle analysis, DPA assay, relative gene expression, and ELISA assay) were utilized in this report., (Copyright © 2021 Elsevier Inc. All rights reserved.)
- Published
- 2021
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