Some examples of the diverse research done by chemistry experts include discovery of new medicines and vaccines, improving understanding of environmental issues, and development of new chemical products and materials. In a document, author is Dash, Radha Charan, introducing its new discovery. Related Products of 546-89-4.
The dopamine D-2 receptor is involved in the etiology of a number of disorders, such as Parkinson’s disease, Huntington’s Chorea, tardive dyskinesia and schizophrenia. Antagonism of D-2 receptors is implicated in the treatment of various psychiatric disorders. In order to understand essential structural features required for D-2 antagonism, this research article elaborates on the generation of a four-point 3D pharmacophore model which was extracted from a series of 45 novel 3-[[(aryloxy)alkyl]piperidinyl]-1,2-benzisoxazole derivatives. The best pharmacophore model generated consisted of four PRRR features: a positively charged group (P), and three aromatic rings (R). Based on the model generated, a statistically valid 3D-QSAR with good predictability (Q(2) = 0.756) was derived. For the validation of the pharmacophore hypothesis, active compounds were docked against the 3D structure of the D-2 receptor which was constructed through homology modeling. Further, the derived pharmacophore was used as a query to search the Zinc ‘clean drug-like’ database. Hits retrieved were passed progressively through filters, such as fitness score, predicted activity and docking scores. The resulting hits present new scaffolds with a strong potential for D-2 antagonist.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 546-89-4 is helpful to your research. Related Products of 546-89-4.
Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics