Publication: Flagging Drugs That Inhibit the Bile Salt Export Pump
Flagging Drugs That Inhibit the Bile Salt Export Pump
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Montanari, F., Pinto, M., Khunweeraphong, N., Wlcek, K., Sohail, M. I., Noeske, T., Boyer, S., Chiba, P., Stieger, B., Kuchler, K., & Ecker, G. F. (2016). Flagging Drugs That Inhibit the Bile Salt Export Pump. Molecular Pharmaceutics, 13(1), 163–171. https://doi.org/10.1021/acs.molpharmaceut.5b00594
Abstract
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Abstract
The bile salt export pump (BSEP) is an ABC-transporter expressed at the canalicular membrane of hepatocytes. Its physiological role is to expel bile salts into the canaliculi from where they drain into the bile duct. Inhibition of this transporter may lead to intrahepatic cholestasis. Predictive computational models of BSEP inhibition may allow for fast identification of potentially harmful compounds in large databases. This article presents a predictive in silico model based on physicochemical descriptors that is able to flag compoun
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Creators (Authors)
- Montanari, Floriane
- Pinto, Marta
- Khunweeraphong, Narakorn
- Wlcek, Katrin
- Sohail, M Imran
- Noeske, Tobias
- Boyer, Scott
- Chiba, Peter
- Stieger, Bruno
- Kuchler, Karl
- Ecker, Gerhard F
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Citations
Montanari, F., Pinto, M., Khunweeraphong, N., Wlcek, K., Sohail, M. I., Noeske, T., Boyer, S., Chiba, P., Stieger, B., Kuchler, K., & Ecker, G. F. (2016). Flagging Drugs That Inhibit the Bile Salt Export Pump. Molecular Pharmaceutics, 13(1), 163–171. https://doi.org/10.1021/acs.molpharmaceut.5b00594
