scholarly journals Advances in indoleamine 2,3-dioxygenase 1 medicinal chemistry

MedChemComm ◽  
2017 ◽  
Vol 8 (7) ◽  
pp. 1378-1392 ◽  
Author(s):  
Alice Coletti ◽  
Francesco Antonio Greco ◽  
Daniela Dolciami ◽  
Emidio Camaioni ◽  
Roccaldo Sardella ◽  
...  
Keyword(s):  
Structure Function ◽  
Medicinal Chemistry ◽  
Next Generation ◽  
Structure Activity Relationships ◽  
Indoleamine 2,3 Dioxygenase ◽  
Structure Activity

Structure–function relationships of IDO1 and structure–activity relationships of inhibitors are discussed with an outlook on next generation IDO1 ligand.

scholarly journals Synthesis, Antiprotozoal Activity, and Cheminformatic Analysis of 2-Phenyl-2H-Indazole Derivatives

Molecules ◽  
2021 ◽  
Vol 26 (8) ◽  
pp. 2145
Author(s):  
Karen Rodríguez-Villar ◽  
Lilián Yépez-Mulia ◽  
Miguel Cortés-Gines ◽  
Jacobo David Aguilera-Perdomo ◽  
Edgar A. Quintana-Salazar ◽  
...  
Keyword(s):  
Phenyl Ring ◽  
Medicinal Chemistry ◽  
Structural Features ◽  
Pharmacological Properties ◽  
Antiprotozoal Activity ◽  
One Pot ◽  
Biological Assays ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Synthetic Methodologies

Indazole is an important scaffold in medicinal chemistry. At present, the progress on synthetic methodologies has allowed the preparation of several new indazole derivatives with interesting pharmacological properties. Particularly, the antiprotozoal activity of indazole derivatives have been recently reported. Herein, a series of 22 indazole derivatives was synthesized and studied as antiprotozoals. The 2-phenyl-2H-indazole scaffold was accessed by a one-pot procedure, which includes a combination of ultrasound synthesis under neat conditions as well as Cadogan’s cyclization. Moreover, some compounds were derivatized to have an appropriate set to provide structure-activity relationships (SAR) information. Whereas the antiprotozoal activity of six of these compounds against E. histolytica, G. intestinalis, and T. vaginalis had been previously reported, the activity of the additional 16 compounds was evaluated against these same protozoa. The biological assays revealed structural features that favor the antiprotozoal activity against the three protozoans tested, e.g., electron withdrawing groups at the 2-phenyl ring. It is important to mention that the indazole derivatives possess strong antiprotozoal activity and are also characterized by a continuous SAR.

scholarly journals The Discovery of Novel Selective D1 Dopaminergic Agonists: A-68930, A-77636, A-86929, and ABT-413

2011 ◽  
Vol 2011 ◽  
pp. 1-8 ◽  
Author(s):  
Yvonne Connolly Martin
Keyword(s):  
Medicinal Chemistry ◽  
Partial Agonist ◽  
Skf 38393 ◽  
The Novel ◽  
Bioactive Conformation ◽  
Dopaminergic Agonists ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
A 68930

The novel selective D1 dopaminergic full agonists A-68930, A-77636 were discovered by the synthesis of molecules to probe the bioactive conformation of the partial agonist SKF-38393, by the use of this information to add D1 affinity and selectivity to a screening hit, and by traditional medicinal chemistry exploration of structure-activity relationships. The subsequent design of A-86929 and ABT-413 capitalized on these results, recently disclosed agonists, and traditional medicinal chemistry.

Multistep Continuous-Flow Synthesis in Medicinal Chemistry: Discovery and Preliminary Structure-Activity Relationships of CCR8 Ligands

2013 ◽  
Vol 19 (28) ◽  
pp. 9343-9350 ◽  
Author(s):  
Trine P. Petersen ◽  
Sahar Mirsharghi ◽  
Pia C. Rummel ◽  
Stefanie Thiele ◽  
Mette M. Rosenkilde ◽  
...  
Keyword(s):  
Continuous Flow ◽  
Medicinal Chemistry ◽  
Flow Synthesis ◽  
Structure Activity Relationships ◽  
Structure Activity

Rational Design of Conformationally Flexible Drugs

1983 ◽  
Vol 11 (2) ◽  
pp. 67-78
Author(s):  
B. Robson ◽  
P.W. Finn
Keyword(s):  
Structure Function ◽  
Rational Design ◽  
Conformational Flexibility ◽  
Thyroid Stimulating Hormone ◽  
Proper Treatment ◽  
Quantitative Structure ◽  
Structure Activity Relationships ◽  
Worked Example ◽  
Structure Activity ◽  
Unknown Structure

Synopsis The rational design of conformationally flexible drugs is briefly reviewed and conformational flexibility is identified as a major stumbling block in the application of QSAR-type methods. With a worked example for thyroid stimulating hormone releasing factor (TRH) and analogues, an approach with several new features is described which leads to quantitative structure-function relationships for the analogues studied so far. With the advantage of hindsight, it appears that with proper treatment good structure-activity relationships might be expected even in the usual case of a receptor of unknown structure, and the reasons for this are described.

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