Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups into the P Pocket

ChemMedChem ◽  
2006 ◽  
Vol 1 (11) ◽  
pp. 1205-1215 ◽  
Author(s):  
Anja Hoffmann-Röder ◽  
Eliane Schweizer ◽  
Jonas Egger ◽  
Paul Seiler ◽  
Ulrike Obst-Sander ◽  
...  
Keyword(s):  
Biological Evaluation ◽  
Thrombin Inhibitors ◽  
Hydrophobic Pocket ◽  
Alkyl Groups ◽  
Synthesis And Biological Evaluation

Statistical Molecular Design, Parallel Synthesis, and Biological Evaluation of a Library of Thrombin Inhibitors

2001 ◽  
Vol 44 (21) ◽  
pp. 3424-3439 ◽  
Author(s):  
Anna Linusson ◽  
Johan Gottfries ◽  
Thomas Olsson ◽  
Eivor Örnskov ◽  
Staffan Folestad ◽  
...  
Keyword(s):  
Molecular Design ◽  
Biological Evaluation ◽  
Parallel Synthesis ◽  
Thrombin Inhibitors ◽  
Synthesis And Biological Evaluation ◽  
Statistical Molecular Design

Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold

2007 ◽  
Vol 5 (16) ◽  
pp. 2599 ◽  
Author(s):  
David Blomberg ◽  
Tomas Fex ◽  
Yafeng Xue ◽  
Kay Brickmann ◽  
Jan Kihlberg
Keyword(s):  
Biological Evaluation ◽  
Thrombin Inhibitors ◽  
Design Synthesis ◽  
Synthesis And Biological Evaluation

Design, Synthesis, and Biological Evaluation of Dabigatran Etexilate Mimics, a Novel Class of Thrombin Inhibitors

2015 ◽  
Vol 348 (8) ◽  
pp. 595-605 ◽  
Author(s):  
Shaochi Wang ◽  
Peng Dai ◽  
Yungen Xu ◽  
Qiufang Chen ◽  
Qihua Zhu ◽  
...  
Keyword(s):  
Dabigatran Etexilate ◽  
Biological Evaluation ◽  
Thrombin Inhibitors ◽  
Design Synthesis ◽  
Synthesis And Biological Evaluation

Synthesis and Biological Evaluation of Direct Thrombin Inhibitors Bearing 4-(Piperidin-1-yl)pyridine at the P1 Position with Potent Anticoagulant Activity

2013 ◽  
Vol 56 (21) ◽  
pp. 8696-8711 ◽  
Author(s):  
Modesto de Candia ◽  
Filomena Fiorella ◽  
Gianfranco Lopopolo ◽  
Andrea Carotti ◽  
Maria Rosaria Romano ◽  
...  
Keyword(s):  
Anticoagulant Activity ◽  
Biological Evaluation ◽  
Thrombin Inhibitors ◽  
Direct Thrombin Inhibitors ◽  
Synthesis And Biological Evaluation

Design, synthesis and biological evaluation of selective boron-containing thrombin inhibitors

1999 ◽  
Vol 7 (7) ◽  
pp. 1295-1307 ◽  
Author(s):  
Anette Wienand ◽  
Claus Ehrhardt ◽  
Rainer Metternich ◽  
Carlo Tapparelli
Keyword(s):  
Biological Evaluation ◽  
Thrombin Inhibitors ◽  
Design Synthesis ◽  
Synthesis And Biological Evaluation

scholarly journals Synthesis and Biological Evaluation of Benzimidazoles as Target for α-Glucosidase Inhibitors

2020 ◽  
Vol 10 (2-s) ◽  
pp. 43-49
Author(s):  
Shweta Mishra ◽  
Rashmi Dahima ◽  
Rajesh Sharma
Keyword(s):  
3D Qsar ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Steric Interaction ◽  
Standard Drug ◽  
Glucosidase Inhibitors ◽  
Alkyl Groups ◽  
Synthesis And Biological Evaluation ◽  
Alpha Glucosidase

Diabetes mellitus is rising globally touching more than 180 million people worldwide. This is prevailing mostly in type 2 diabetes and according to WHO report the incidence is likely to be more than doubled by 2030. α-glucosidase inhibitors work by reducing the amount of glucose that the intestines absorb from food. In our previous work, forty-five benzimidazoles analogues were studied using 3D QSAR, HQSAR, and Pharmacophore mapping and based on their results 60 compounds were designed. Docking studies of those designed compounds showed that most of the compounds are bonding with important amino acids LEU 520, ARG 335 and ASP 69 through hydrogen bonds and steric interaction. In this work, synthesis of eleven compounds was done on the basis of molecular docking studies. Compounds containing hydroxyl and alkyl groups (compound no. 3, 9 and 10) were found to be five to eight folds more active with IC90 values in the range of 6.02 ± 1.10 to 33.25 ± 1.20 µg/ml, in comparison with the standard drug, Acarbose (IC90= 290.55 ± 0.081 µg/ml). Thus, these compounds after the toxicity studies could be of therapeutic use in treating diabetes. Keywords: Acarbose, Alpha-glucosidase inhibition, Benzimidazoles, Docking, Molecular modelling, Post-prandial hyperglycemia

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