European journal of medicinal chemistryHumansDopamine Plasma Membrane Transport ProteinsAllosteric RegulationStructure-Activity RelationshipDrug Discovery
Discovery of a new allosteric inhibitor for human dopamine transporter by physics-based modeling and experimental validation.
Xiaolong Ye, Shengzhe Deng, Ding Luo, Wanghong Fu, Qingqing Du, Weiwei Xue
Published: 202610.1016/j.ejmech.2025.118403
Abstract
The dopamine transporter (DAT) is a pivotal target in the management of central nervous system (CNS) disorders. Existing drugs that competitively bind to the orthosteric site on DAT are associated with several side effects. Although the concept of al…
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