Novel benzenesulfonamides aryl and arylsulfone conjugates adopting tail/dual tail approaches: Synthesis, carbonic anhydrase inhibitory activity and molecular modeling studies

2021 ◽  
pp. 113486
Author(s):  
Assem H. Eldeeb ◽  
Mahmoud F. Abo-Ashour ◽  
Andrea Angeli ◽  
Alessandro Bonardi ◽  
Deena S. Lasheen ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Carbonic Anhydrase ◽  
Inhibitory Activity ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Novel hydrazido benzenesulfonamides-isatin conjugates: Synthesis, carbonic anhydrase inhibitory activity and molecular modeling studies

2018 ◽  
Vol 157 ◽  
pp. 28-36 ◽  
Author(s):  
Mahmoud F. Abo-Ashour ◽  
Wagdy M. Eldehna ◽  
Alessio Nocentini ◽  
Hany S. Ibrahim ◽  
Silvia Bua ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Carbonic Anhydrase ◽  
Inhibitory Activity ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Novel synthesized SLC-0111 thiazole and thiadiazole analogues: Determination of their carbonic anhydrase inhibitory activity and molecular modeling studies

2019 ◽  
Vol 87 ◽  
pp. 794-802 ◽  
Author(s):  
Mahmoud F. Abo-Ashour ◽  
Wagdy M. Eldehna ◽  
Alessio Nocentini ◽  
Hany S. Ibrahim ◽  
Silvia Bua ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Carbonic Anhydrase ◽  
Inhibitory Activity ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Selective Inhibitory Activity against MAO and Molecular Modeling Studies of 2-Thiazolylhydrazone Derivatives

2007 ◽  
Vol 50 (4) ◽  
pp. 707-712 ◽  
Author(s):  
Franco Chimenti ◽  
Elias Maccioni ◽  
Daniela Secci ◽  
Adriana Bolasco ◽  
Paola Chimenti ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Spectroscopic and molecular modeling studies on binding of dorzolamide to bovine and human carbonic anhydrase II

2015 ◽  
Vol 80 ◽  
pp. 189-199 ◽  
Author(s):  
Nooshin Bijari ◽  
Sirous Ghobadi ◽  
Hamid Mahdiuni ◽  
Reza Khodarahmi ◽  
Seyyed Abolghasem Ghadami
Keyword(s):  
Molecular Modeling ◽  
Carbonic Anhydrase ◽  
Carbonic Anhydrase Ii ◽  
Modeling Studies ◽  
Molecular Modeling Studies ◽  
Human Carbonic Anhydrase

Synthesis, Molecular Modeling Studies, and Selective Inhibitory Activity against Monoamine Oxidase of 1-Thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole Derivatives

2005 ◽  
Vol 48 (23) ◽  
pp. 7113-7122 ◽  
Author(s):  
Franco Chimenti ◽  
Elias Maccioni ◽  
Daniela Secci ◽  
Adriana Bolasco ◽  
Paola Chimenti ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Monoamine Oxidase ◽  
Inhibitory Activity ◽  
Pyrazole Derivatives ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Synthesis, molecular modeling studies and selective inhibitory activity against MAO of N1-propanoyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives

2008 ◽  
Vol 43 (10) ◽  
pp. 2262-2267 ◽  
Author(s):  
Franco Chimenti ◽  
Rossella Fioravanti ◽  
Adriana Bolasco ◽  
Fedele Manna ◽  
Paola Chimenti ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Pyrazole Derivatives ◽  
Modeling Studies ◽  
Molecular Modeling Studies

scholarly journals Novel 8-Substituted Coumarins That Selectively Inhibit Human Carbonic Anhydrase IX and XII

2019 ◽  
Vol 20 (5) ◽  
pp. 1208 ◽  
Author(s):  
Kerem Buran ◽  
Silvia Bua ◽  
Giulio Poli ◽  
F. Önen Bayram ◽  
Tiziano Tuccinardi ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Carbonic Anhydrase ◽  
Mechanism Of Action ◽  
Inhibitory Activity ◽  
Carbonic Anhydrase Ix ◽  
Specific Mechanism ◽  
Single Digit ◽  
Molecular Modeling Studies ◽  
Human Carbonic Anhydrase ◽  
Substituted Coumarins

A novel series of 8-substituted coumarin-based compounds, characterized by the presence of alkylpiperazine and arylpiperazine chains, were synthesized and tested for their inhibitory activity against four human carbonic anhydrase (hCA) isoforms. All compounds displayed nanomolar potency against the cancer-related hCA IX and hCA XII; moreover, they were shown to be devoid of any inhibitory activity toward the cytosolic hCA I and hCA II up to 10 µM concentration in the assay system. Therefore, the synthesized coumarin ligands demonstrated to be potent and selective hCA IX/XII inhibitors, and were shown to be as potent as the reference inhibitor acetazolamide against hCA XII, with single-digit nanomolar Ki values. Molecular modeling studies provided a rationale for explaining the selectivity profile of these non-classic hCA inhibitors and their interactions with the enzymes, according to their specific mechanism of action, thus paving the way for future structure-based lead optimization studies.

Acetylcholinesterase inhibitory activity of Ocotea pomaderroides extracts: HPLC-MS/MS characterization and molecular modeling studies

2020 ◽  
pp. 1-5
Author(s):  
Isabella M. A. Reis ◽  
Dayse S. A. Cassiano ◽  
Rodrigo S. Conceição ◽  
Humberto F. de Freitas ◽  
Samuel S. da R. Pita ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Acetylcholinesterase Inhibitory Activity ◽  
Modeling Studies ◽  
Molecular Modeling Studies
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