Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Fluorinated Candidates as PI3K Inhibitors: Targeting Fluorophilic Binding Sites

2021 ◽  
Author(s):  
Ahmed H. Tantawy ◽  
Mohammed Farrag El-Behairy ◽  
Walaa Hamada Abd-Allah ◽  
Hong Jiang ◽  
Man-Qun Wang ◽  
...  
Keyword(s):  
Binding Sites ◽  
Biological Evaluation ◽  
Computational Studies ◽  
Design Synthesis ◽  
Pi3k Inhibitors

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.

Design, synthesis and biological evaluation of acylhydrazone derivatives as PI3K inhibitors

2015 ◽  
Vol 26 (1) ◽  
pp. 118-120 ◽  
Author(s):  
Guo-Rui Gao ◽  
Jia-Li Liu ◽  
De-Sheng Mei ◽  
Jian Ding ◽  
Ling-Hua Meng ◽  
...  
Keyword(s):  
Biological Evaluation ◽  
Design Synthesis ◽  
Pi3k Inhibitors ◽  
Synthesis And Biological Evaluation

scholarly journals Multitarget Strategy to Address Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and Computational Studies of Coumarin-Based Derivatives

ChemMedChem ◽  
2015 ◽  
Vol 11 (12) ◽  
pp. 1296-1308 ◽  
Author(s):  
Serena Montanari ◽  
Manuela Bartolini ◽  
Paolo Neviani ◽  
Federica Belluti ◽  
Silvia Gobbi ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Biological Evaluation ◽  
Computational Studies ◽  
Design Synthesis

Novel isoniazid-spirooxindole derivatives: design, synthesis, biological evaluation, in silico ADMET prediction and computational studies

2020 ◽  
Vol 1222 ◽  
pp. 128881 ◽  
Author(s):  
Mayuri A. Borad ◽  
Divya J. Jethava ◽  
Manoj N. Bhoi ◽  
Chirag N. Patel ◽  
Himanshu A. Pandya ◽  
...  
Keyword(s):  
In Silico ◽  
Biological Evaluation ◽  
Computational Studies ◽  
Design Synthesis ◽  
In Silico Admet

Design, synthesis, and biological evaluation of some novel 4-aminoquinazolines as Pan-PI3K inhibitors

2019 ◽  
Vol 27 (13) ◽  
pp. 2729-2740 ◽  
Author(s):  
Huai-Wei Ding ◽  
Shu Wang ◽  
Xiao-Chun Qin ◽  
Jian Wang ◽  
Hong-Rui Song ◽  
...  
Keyword(s):  
Biological Evaluation ◽  
Design Synthesis ◽  
Pi3k Inhibitors ◽  
Synthesis And Biological Evaluation
Sign in / Sign up

Export Citation Format

Share Document