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• W2007705439 abstract "The human apical sodium-dependent bile acid transporter (ASBT; SLC10A2) is the primary mechanism for intestinal bile acid reabsorption. In the colon, secondary bile acids increase the risk of cancer. Therefore, drugs that inhibit ASBT have the potential to increase the risk of colon cancer. The objectives of this study were to identify FDA-approved drugs that inhibit ASBT and to derive computational models for ASBT inhibition. Inhibition was evaluated using ASBT-MDCK monolayers and taurocholate as the model substrate. Computational modeling employed a HipHop qualitative approach, a Hypogen quantitative approach, and a modified Laplacian Bayesian modeling method using 2D descriptors. Initially, 30 compounds were screened for ASBT inhibition. A qualitative pharmacophore was developed using the most potent 11 compounds and applied to search a drug database, yielding 58 hits. Additional compounds were tested, and their Ki values were measured. A 3D-QSAR and a Bayesian model were developed using 38 molecules. The quantitative pharmacophore consisted of one hydrogen bond acceptor, three hydrophobic features, and five excluded volumes. Each model was further validated with two external test sets of 30 and 19 molecules. Validation analysis showed both models exhibited good predictability in determining whether a drug is a potent or nonpotent ASBT inhibitor. The Bayesian model correctly ranked the most active compounds. In summary, using a combined in vitro and computational approach, we found that many FDA-approved drugs from diverse classes, such as the dihydropyridine calcium channel blockers and HMG CoA-reductase inhibitors, are ASBT inhibitors." @default.
• W2007705439 created "2016-06-24" @default.
• W2007705439 creator A5005662931 @default.
• W2007705439 creator A5021851349 @default.
• W2007705439 creator A5073615016 @default.
• W2007705439 creator A5073973321 @default.
• W2007705439 date "2009-08-27" @default.
• W2007705439 modified "2023-10-10" @default.
• W2007705439 title "Computational Models for Drug Inhibition of the Human Apical Sodium-Dependent Bile Acid Transporter" @default.
• W2007705439 cites W1501141819 @default.
• W2007705439 cites W1602795058 @default.
• W2007705439 cites W1947537774 @default.
• W2007705439 cites W1967742674 @default.
• W2007705439 cites W1971027475 @default.
• W2007705439 cites W1972407879 @default.
• W2007705439 cites W1973678323 @default.
• W2007705439 cites W1973963601 @default.
• W2007705439 cites W1978017146 @default.
• W2007705439 cites W1981409857 @default.
• W2007705439 cites W1984367287 @default.
• W2007705439 cites W1989289626 @default.
• W2007705439 cites W1989707068 @default.
• W2007705439 cites W1992305758 @default.
• W2007705439 cites W1994279868 @default.
• W2007705439 cites W1996995529 @default.
• W2007705439 cites W1997424673 @default.
• W2007705439 cites W1997600042 @default.
• W2007705439 cites W2006303853 @default.
• W2007705439 cites W2013019095 @default.
• W2007705439 cites W2016121223 @default.
• W2007705439 cites W2019258148 @default.
• W2007705439 cites W2019275209 @default.
• W2007705439 cites W2024610476 @default.
• W2007705439 cites W2026509352 @default.
• W2007705439 cites W2031982320 @default.
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• W2007705439 cites W2040377055 @default.
• W2007705439 cites W2040658728 @default.
• W2007705439 cites W2041253429 @default.
• W2007705439 cites W2050810892 @default.
• W2007705439 cites W2050811413 @default.
• W2007705439 cites W2051537173 @default.
• W2007705439 cites W2056503606 @default.
• W2007705439 cites W2060978652 @default.
• W2007705439 cites W2066460129 @default.
• W2007705439 cites W2068986574 @default.
• W2007705439 cites W2069054898 @default.
• W2007705439 cites W2069990538 @default.
• W2007705439 cites W2074157286 @default.
• W2007705439 cites W2074434054 @default.
• W2007705439 cites W2089559603 @default.
• W2007705439 cites W2091317169 @default.
• W2007705439 cites W2093571167 @default.
• W2007705439 cites W2097126279 @default.
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• W2007705439 cites W2146927071 @default.
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• W2007705439 doi "https://doi.org/10.1021/mp900163d" @default.
• W2007705439 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2757534" @default.
• W2007705439 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19673539" @default.
• W2007705439 hasPublicationYear "2009" @default.
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