Pharmacophore anti-target

GPCR Anti-target Modeling. Pharmacophore Models to Avoid GPCR-mediated Side-effects... 

GPCR Anti-target Pharmacophore Modeling the aIo Adrenergic Receptor 285... 

CPCR Anti-target Pharmacophore Modeling the a,a Adrenergic Receptor... 

Validation of Anti-target Pharmacophore Models 13.3.3.1 Virtual Screening Hit Rates and Yields... 

The purpose of the anti-target pharmacophores is to recognize and rationalize anti-target side-affinities within chemotypes different from those used in the training set. Hence it appears crucial to validate the pharmacophore hypotheses using external test set molecules, which have not been used for pharmacophore... 

CPCR Anti-target Modeling Pharmacophore Models to Avoid CPCR-mediated Side-effects 283... 

It is known that pyrazolines and pyrazoles are an important class of pharmacophores [1,2,3,4, 5,6], Heterocycles containing these fragments are important targets in synthetic and medicinal chemistry since they are key moieties in numerous biologically active compounds possessing tranquilizing, muscle relaxant, psychoanaleptic, anticonvulsant and antidepressant activities [7, 8, 9,10,11,12], This includes kinesin spindle protein [12] and monoamine oxidase [13, 14] inhibitors as well as antimycobacterial [15, 16] and anti-inflammatory [17] agents. 

Aryl sulfonamides were targeted as potential anti-MRS pharmacophores of... 

---