Review of: "Synthesis, ADME, Toxicity, and In Silico Molecular Docking Study of Novel β-Carboline Derivatives as Potential Inhibitor Anticancer Agents" DOI Creative Commons
Mohamed T. M. Nemr

Опубликована: Дек. 17, 2024

The author prepared and evaluated a series of new 5-(9-benzyl-1-methyl-9H-pyrido [3,4-b] indol-3-yl)-1,3,4oxadiazol-2-amine (4a-b).1H NMR, IR, mass spectral data were used to evaluate the structures synthesized compounds.Besides in silico molecular docking, which has been done on these newly compounds active pocket Protein kinase inhibition by staurosporine PDB:1aq1 complex, it shows good binding interaction enzyme.The ADME cytotoxicity properties suggest that this compound is best for further studies.

Язык: Английский

Discovery of novel thiazolopyrimidine derivatives targeting topoisomerase II: Design, synthesis, antiproliferative evaluation, molecular docking and apoptosis inducing activity DOI

Sara Y. Ewieda,

Mo’men Salem, Ahmed Elshewy

и другие.

Bioorganic Chemistry, Год журнала: 2025, Номер unknown, С. 108672 - 108672

Опубликована: Июнь 1, 2025

Язык: Английский

Процитировано

0
Novel Hydrazide‐Hydrazones Bearing a Benzimidazole Ring: Design, Synthesis, and Evaluation of Inhibitor Properties Against CA I and CA II Isozymes DOI
Ayşen Işık, Ulviye Acar Çevik, İsmail Çeli̇k

и другие.

Chemical Biology & Drug Design, Год журнала: 2024, Номер 104(6)

Опубликована: Ноя. 30, 2024

ABSTRACT In this study, we propose identifying potential novel compounds targeting carbonic anhydrase I and II. Herein, have designed synthesized new benzimidazole‐hydrazide‐hydrazones derivatives ( 4a‐4r ) to investigate the effects of these on CA isoenzymes. The compounds' 1 H NMR, 13 C HRMS spectra were used confirm their chemical structures. synthetic screened for inhibitory against II by in vitro assay. These IC 50 values 3.727–1.493 μM (hCA I) 3.892–1.547 II). Inhibition types K i determined. 3.006 ± 0.17 μM‐0.356 0.0 2.923 0.15 μM‐0.346 Acetazolamide (AAZ) was as reference study. most potent derivatives, a 4‐methoxy derivative (compound 4k 4‐(trifluoromethyl) 4g ), than AAZ (IC = 2.26 μM) found 1.493 1.675 μM, respectively. Compared AAZ, other having more effect hCA 4b , 4e 4l 4m 4n 4o . gave 1.743, 1.789, 1.933, 1.966, 1.983, 1.986 Compounds no effective activity isozyme 1.17 μM). According test results, detailed protein‐ligand interactions exhibited considerably low binding energies, suggesting strong interaction affinities I. addition, cytotoxic L929 healthy cell line evaluated.

Язык: Английский

Процитировано

1
Review of: "Synthesis, ADME, Toxicity, and In Silico Molecular Docking Study of Novel β-Carboline Derivatives as Potential Inhibitor Anticancer Agents" DOI Creative Commons
Mohamed T. M. Nemr

Опубликована: Дек. 17, 2024

The author prepared and evaluated a series of new 5-(9-benzyl-1-methyl-9H-pyrido [3,4-b] indol-3-yl)-1,3,4oxadiazol-2-amine (4a-b).1H NMR, IR, mass spectral data were used to evaluate the structures synthesized compounds.Besides in silico molecular docking, which has been done on these newly compounds active pocket Protein kinase inhibition by staurosporine PDB:1aq1 complex, it shows good binding interaction enzyme.The ADME cytotoxicity properties suggest that this compound is best for further studies.

Язык: Английский

Процитировано

0