Downloads provided by UsageCounts
In this work, using the ArgusLab 4.0.1 software package, we carried out in silico modeling of A2A receptor antagonists. We proposed N-(1-(benzo[d]thiazol-2-ylamino)-2,2,2-trichloroethyl)carboxamides as potential biologically active substances. According to the results of molecular docking, all of the analyzed benzo[d]thiazol-2-amine derivatives were superior to ZM-241385 in the strength of the complex formed with the receptor. N-(1-(benzo[d]thiazol-2-ylamino)-2,2,2-trichloroethyl)-4-methylbenzamide, N-(1-(benzo[d]thiazol-2-ylamino)-2,2,2-trichloroethyl)-1-naphthamide and N-(2,2,2-trichloro-1-((6-chlorobenzo[d]thiazol-2-yl)amino)ethyl)benzamide formed the most stable complexes with the A2A receptor. For all studied structures, an acute toxicity prediction for rats was made using the GUSAR program. In addition, the compounds studied were tested for compliance with Lipinski criteria. Keywords: In silico, Molecular docking, А2A, GUSAR, ArgusLab, Benzo[d]thiazol, Carboxamides.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
| views | 3 | |
| downloads | 4 |

Views provided by UsageCounts
Downloads provided by UsageCounts