Design, synthesis, biological evaluation and docking studies of novel 2-substituted-4-morpholino-7,8-dihydro-5 H -thiopyrano[4,3- d ]pyrimidine derivatives as dual PI3Kα/mTOR inhibitors

2016 ◽  
Vol 116 ◽  
pp. 27-35 ◽  
Author(s):  
Fei Lei ◽  
Chengyu Sun ◽  
Shan Xu ◽  
Qinqin Wang ◽  
Yiqiang OuYang ◽  
...  
Keyword(s):  
Mtor Inhibitors ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Pyrimidine Derivatives ◽  
Design Synthesis

scholarly journals Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Tri-Aryl Imidazole-Benzene Sulfonamide Hybrids as Promising Selective Carbonic Anhydrase IX and XII Inhibitors

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4718
Author(s):  
Lamya H. Al-Wahaibi ◽  
Bahaa G. M. Youssif ◽  
Ehab S. Taher ◽  
Ahmed H. Abdelazeem ◽  
Antar A. Abdelhamid ◽  
...  
Keyword(s):  
Proliferative Activity ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Selectivity Ratio ◽  
Computational Studies ◽  
Design Synthesis ◽  
Ca Ix ◽  
Side Pocket ◽  
Modelling Simulation ◽  
Good Agreement

A novel series of tri-aryl imidazole derivatives 5a–n carrying benzene sulfonamide moiety has been designed for their selective inhibitory against hCA IX and XII activity. Six compounds were found to be potent and selective CA IX inhibitors with the order of 5g > 5b > 5d > 5e > 5g > 5n (Ki = 0.3–1.3 μM, and selectivity ratio for hCA IX over hCA XII = 5–12) relative to acetazolamide (Ki = 0.03 μM, and selectivity ratio for hCA IX over hCA XII = 0.20). The previous sixth inhibitors have been further investigated for their anti-proliferative activity against four different cancer cell lines using MTT assay. Compounds 5g and 5b demonstrated higher antiproliferative activity than other tested compounds (with GI50 = 2.3 and 2.8 M, respectively) in comparison to doxorubicin (GI50 = 1.1 M). Docking studies of these two compounds adopted orientation and binding interactions with a higher liability to enter the active side pocket CA-IX selectively similar to that of ligand 9FK. Molecular modelling simulation showed good agreement with the acquired biological evaluation.

scholarly journals N,N′-Disubstituted thiourea and urea derivatives: design, synthesis, docking studies and biological evaluation against nitric oxide synthase

MedChemComm ◽  
2016 ◽  
Vol 7 (4) ◽  
pp. 667-678 ◽  
Author(s):  
Mariem Chayah ◽  
M. Encarnación Camacho ◽  
M. Dora Carrión ◽  
Miguel A. Gallo ◽  
Miguel Romero ◽  
...  
Keyword(s):  
Nitric Oxide ◽  
Nitric Oxide Synthase ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Urea Derivatives ◽  
Design Synthesis ◽  
Inos Inhibitors ◽  
Oxide Synthase

N,N′-Disubstituted thioureas and ureas as nNOS and iNOS inhibitors were synthesized. Thiourea 4g was the best inhibitor without eNOS inhibition.

ChemInform Abstract: Synthesis, Biological Evaluation and Molecular Docking Studies of Some Pyrimidine Derivatives.

ChemInform ◽  
2013 ◽  
Vol 44 (52) ◽  
pp. no-no
Author(s):  
Ahmed M. Fargualy ◽  
Nargues S. Habib ◽  
Khadiga A. Ismail ◽  
Ahmed M. M. Hassan ◽  
Marwa T. M. Sarg
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Pyrimidine Derivatives ◽  
Molecular Docking Studies

Design, synthesis, docking studies and biological evaluation of novel chalcone derivatives as potential histone deacetylase inhibitors

2017 ◽  
Vol 72 ◽  
pp. 32-41 ◽  
Author(s):  
Mamdouh F.A. Mohamed ◽  
Montaser Sh.A. Shaykoon ◽  
Mostafa H. Abdelrahman ◽  
Bakheet E.M. Elsadek ◽  
Ahmed S. Aboraia ◽  
...  
Keyword(s):  
Histone Deacetylase ◽  
Histone Deacetylase Inhibitors ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
Chalcone Derivatives
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