Identification of novel benzimidazole derivatives as anti-Trypanosoma cruziagents: solid-phase synthesis, structure–activity relationships and molecular docking studies

2013 ◽  
Vol 5 (15) ◽  
pp. 1719-1732 ◽  
Author(s):  
Natalia Ríos ◽  
Javier Varela ◽  
Estefania Birriel ◽  
Mercedes González ◽  
Hugo Cerecetto ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Solid Phase Synthesis ◽  
Solid Phase ◽  
Docking Studies ◽  
Benzimidazole Derivatives ◽  
Phase Synthesis ◽  
Molecular Docking Studies ◽  
Structure Activity Relationships ◽  
Structure Activity

scholarly journals Synthesis and Human Carbonic Anhydrase I, II, IX, and XII Inhibition Studies of Sulphonamides Incorporating Mono-, Bi- and Tricyclic Imide Moieties

2021 ◽  
Vol 14 (7) ◽  
pp. 693
Author(s):  
Kalyan K. Sethi ◽  
KM Abha Mishra ◽  
Saurabh M. Verma ◽  
Daniela Vullo ◽  
Fabrizio Carta ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Carbonic Anhydrase ◽  
Docking Studies ◽  
Carbonic Anhydrases ◽  
Molecular Docking Studies ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Carbonic Anhydrase I ◽  
Human Carbonic Anhydrase ◽  
Inhibition Studies

New derivatives were synthesised by reaction of amino-containing aromatic sulphonamides with mono-, bi-, and tricyclic anhydrides. These sulphonamides were investigated as human carbonic anhydrases (hCAs, EC 4.2.1.1) I, II, IX, and XII inhibitors. hCA I was inhibited with inhibition constants (Kis) ranging from 49 to >10,000 nM. The physiologically dominant hCA II was significantly inhibited by most of the sulphonamide with the Kis ranging between 2.4 and 4515 nM. hCA IX and hCA XII were inhibited by these sulphonamides in the range of 9.7 to 7766 nM and 14 to 316 nM, respectively. The structure–activity relationships (SAR) are rationalised with the help of molecular docking studies.

scholarly journals Recent development of lipoxygenase inhibitors as anti-inflammatory agents

MedChemComm ◽  
2018 ◽  
Vol 9 (2) ◽  
pp. 212-225 ◽  
Author(s):  
Chaoyu Hu ◽  
Shutao Ma
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Docking Studies ◽  
Lipoxygenase Inhibitors ◽  
Molecular Docking Studies ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Activity Structure ◽  
Recent Developments ◽  
Lox Inhibitors

This review summarizes recent developments of LOX inhibitors. It also contains an introduction to their structures, biological activity, structure–activity relationships and molecular docking studies.

Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives

2017 ◽  
Vol 15 (31) ◽  
pp. 6548-6556 ◽  
Author(s):  
Biao Wang ◽  
Wei Huang ◽  
Jin Zhou ◽  
Xue Tang ◽  
Yang Chen ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Molecular Docking ◽  
Drug Design ◽  
Docking Studies ◽  
Structure Design ◽  
Pentaerythritol Tetranitrate ◽  
Molecular Docking Studies ◽  
Structure Activity Relationships ◽  
Structure Activity

We performed molecular docking studies of Pogostone with PETNR and analyzed structure–activity relationships, which guided the structure design and the subsequent facile organocatalytic synthesis of Pogostone derivatives.

Solid-Phase Synthesis and Insights into Structure−Activity Relationships of Safinamide Analogues as Potent and Selective Inhibitors of Type B Monoamine Oxidase

2007 ◽  
Vol 50 (20) ◽  
pp. 4909-4916 ◽  
Author(s):  
Francesco Leonetti ◽  
Carmelida Capaldi ◽  
Leonardo Pisani ◽  
Orazio Nicolotti ◽  
Giovanni Muncipinto ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Solid Phase Synthesis ◽  
Solid Phase ◽  
Type B ◽  
Selective Inhibitors ◽  
Phase Synthesis ◽  
Structure Activity Relationships ◽  
Structure Activity
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