放射性配体
虚拟筛选
生物信息学
受体
放射配基分析
化学
药理学
体外
5-羟色胺受体
血清素
配体(生物化学)
计算生物学
药物发现
生物化学
生物
基因
作者
Agata Zięba,Damian Bartuzi,Piotr Stępnicki,Dariusz Matosiuk,Tomasz M. Wróbel,Tuomo Laitinen,Marián Castro,Agnieszka A. Kaczor
出处
期刊:ChemMedChem
[Wiley]
日期:2024-04-15
卷期号:19 (14): e202400080-e202400080
被引量:3
标识
DOI:10.1002/cmdc.202400080
摘要
receptors. These compounds were confirmed to show a binding affinity for at least one of the targets tested in vitro. The success rate for the inactive template-based screening reached 17 %, while it was 9 % for the active template-based screening. Similarity and fragment analysis indicated the structural novelty of the identified compounds. Pharmacokinetics for these molecules was determined using in silico approaches.
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