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Design, synthesis, molecular modeling and biological evaluation of novel 1H-pyrazolo[3,4-b]pyridine derivatives as potential anticancer agents.

Abstract：

:In trying to develop new anticancer agents, a series of 1H-pyrazolo[3,4-b]pyridine derivatives was designed and synthesized. Fifteen compounds were evaluated in vitro for their anti-proliferative activity against HePG-2, MCF-7, HCT-116, and PC-3 cell lines. Additionally, DNA binding affinity of the synthesized derivatives was investigated as a potential mechanism for the anticancer activity using DNA/methyl green assay and association constants assay. Compounds 19, 20, 21, 24 and 25 exhibited good activity against the four cancer cells comparable to that of doxorubicin. Interestingly, DNA binding assay results were in agreement with that of the cytotoxicity assays where the most potent anticancer compounds showed good DNA binding affinity comparable to that of doxorubicin and daunorubicin. Furthermore, a molecular docking of the tested compounds was carried out to investigate their binding pattern with the prospective target, DNA (PDB-code: 152d).

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

Eissa IH,El-Naggar AM,El-Hashash MA

doi

10.1016/j.bioorg.2016.05.006

subject

Has Abstract

pub_date

2016-08-01 00:00:00

pages

43-56

eissn

0045-2068

issn

1090-2120

pii

S0045-2068(16)30048-7

journal_volume

67

pub_type

杂志文章

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