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Inhibition of the Alanine-Serine-Cysteine-1 Transporter by BMS-466442.
ACS Chemical Neuroscience ( IF 4.1 ) Pub Date : 2019-03-14 , DOI: 10.1021/acschemneuro.9b00019 Ivan R Torrecillas 1 , Susana Conde-Ceide 2 , Ana Isabel de Lucas 2 , Aránzazu Garcı A Molina 2 , Andrés A Trabanco 2 , Hilde Lavreysen , Leonardo Pardo 1 , Gary Tresadern
ACS Chemical Neuroscience ( IF 4.1 ) Pub Date : 2019-03-14 , DOI: 10.1021/acschemneuro.9b00019 Ivan R Torrecillas 1 , Susana Conde-Ceide 2 , Ana Isabel de Lucas 2 , Aránzazu Garcı A Molina 2 , Andrés A Trabanco 2 , Hilde Lavreysen , Leonardo Pardo 1 , Gary Tresadern
Affiliation
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Experiment and modeling were combined to understand inhibition of the alanine-serine-cysteine-1 (asc1) transporter. The structure-activity relationship (SAR) was explored with synthesis of analogues of BMS-466442. Direct target interaction and binding site location between TM helices 6 and 10 were confirmed via site directed mutagenesis. Computational modeling suggested the inhibitor binds via competitive occupation of the orthosteric site while also blocking the movement of TM helices that are required for transport.
中文翻译：
BMS-466442对丙氨酸-丝氨酸-半胱氨酸-1转运蛋白的抑制作用。
实验和建模相结合，以了解对丙氨酸-丝氨酸-半胱氨酸-1（asc1）转运蛋白的抑制作用。通过合成BMS-466442探索了构效关系（SAR）。通过定点诱变证实了TM螺旋6和10之间的直接靶相互作用和结合位点的位置。计算模型表明，该抑制剂通过竞争性占据正构位点而结合，同时也阻止了运输所需的TM螺旋的运动。
更新日期：2019-03-01
中文翻译：
BMS-466442对丙氨酸-丝氨酸-半胱氨酸-1转运蛋白的抑制作用。
实验和建模相结合，以了解对丙氨酸-丝氨酸-半胱氨酸-1（asc1）转运蛋白的抑制作用。通过合成BMS-466442探索了构效关系（SAR）。通过定点诱变证实了TM螺旋6和10之间的直接靶相互作用和结合位点的位置。计算模型表明，该抑制剂通过竞争性占据正构位点而结合，同时也阻止了运输所需的TM螺旋的运动。
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