scholarly journals 1,4-Dihydropyridine Calcium Channel Blockers: Homology Modeling of the Receptor and Assessment of Structure Activity Relationship

2014 ◽  
Vol 2014 ◽  
pp. 1-14 ◽  
Author(s):  
Moataz A. Shaldam ◽  
Mervat H. Elhamamsy ◽  
Eman A. Esmat ◽  
Tarek F. El-Moselhy
Keyword(s):  
Homology Modeling ◽  
Calcium Channel ◽  
Mode Of Action ◽  
Structure Prediction ◽  
3D Structure ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Receptor Model ◽  
Modeling Tools ◽  
Structure Activity

1,4-Dihydropyridine (DHP), an important class of calcium antagonist, inhibits the influx of extracellular Ca+2 through L-type voltage-dependent calcium channels. Three-dimensional (3D) structure of calcium channel as a receptor for 1,4-dihydropyridine is a step in understanding its mode of action. Protein structure prediction and modeling tools are becoming integral parts of the standard toolkit in biological and biomedical research. So, homology modeling (HM) of calcium channel alpha-1C subunit as DHP receptor model was achieved. The 3D structure of potassium channel was used as template for HM process. The resulted dihydropyridine receptor model was checked by different means to assure stereochemical quality and structural integrity of the model. This model was achieved in an attempt to understand the mode of action of DHP calcium channel antagonist and in further computer-aided drug design (CADD) analysis. Also the structure-activity relationship (SAR) of DHPs as antihypertensive and antianginal agents was reviewed, summarized, and discussed.

Triazol: a privileged scaffold for proteolysis targeting chimeras

2019 ◽  
Vol 11 (22) ◽  
pp. 2919-2973 ◽  
Author(s):  
Li-Wen Xia ◽  
Meng-Yu Ba ◽  
Wei Liu ◽  
Weyland Cheng ◽  
Chao-Ping Hu ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Anticancer Activity ◽  
Mode Of Action ◽  
Critical Analysis ◽  
Enzyme Inhibitors ◽  
Structure Activity Relationship ◽  
Target Protein ◽  
Activity Relationship ◽  
Structure Activity ◽  
Privileged Scaffold

Current traditional drugs such as enzyme inhibitors and receptor agonists/antagonists present inherent limitations due to occupancy-driven pharmacology as the mode of action. Proteolysis targeting chimeras (PROTACs) are composed of an E3 ligand, a connecting linker and a target protein ligand, and are an attractive approach to specifically knockdown-targeted proteins utilizing an event-driven mode of action. The length, hydrophilicity and rigidity of connecting linkers play important role in creating a successful PROTAC. Some PROTACs with a triazole linker have displayed promising anticancer activity. This review provides an overview of PROTACs with a triazole scaffold and discusses its structure–activity relationship. Important milestones in the development of PROTACs are addressed and a critical analysis of this drug discovery strategy is also presented.

scholarly journals Antitubercular 2-Pyrazolylpyrimidinones: Structure–Activity Relationship and Mode-of-Action Studies

2021 ◽  
Author(s):  
Candice Soares de Melo ◽  
Vinayak Singh ◽  
Alissa Myrick ◽  
Sandile B. Simelane ◽  
Dale Taylor ◽  
...  
Keyword(s):  
Mode Of Action ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity

Structure–activity relationship studies of thalidomide analogs with a taxol-like mode of action

2013 ◽  
Vol 23 (24) ◽  
pp. 6902-6904 ◽  
Author(s):  
Bulbul Pandit ◽  
Zhigen Hu ◽  
Somsundaram N. Chettiar ◽  
Jennifer Zink ◽  
Zili Xiao ◽  
...  
Keyword(s):  
Mode Of Action ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity
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